24832111
 OpenBabel05082101102D

 99101  0  0  1  0  0  0  0  0999 V2000
    9.7942   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5263   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3923   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3923    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0029   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6044   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8783    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6383    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7723   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0123   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6804   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3004   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
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  5 18  1  0  0  0  0
  5 36  1  0  0  0  0
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  7 32  1  0  0  0  0
  8 23  1  0  0  0  0
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  9 38  1  0  0  0  0
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 17 46  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 49  1  0  0  0  0
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 26 55  1  0  0  0  0
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 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 40  1  0  0  0  0
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 37 75  1  0  0  0  0
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M  END
>  <PUBCHEM_COMPOUND_CID>
24832111

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
810

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
18

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[6-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol

>  <PUBCHEM_IUPAC_CAS_NAME>
2-[[6-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-4,5-dimethoxy-2-(methoxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-[6-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

>  <PUBCHEM_IUPAC_NAME>
2-[6-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[6-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[6-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-5-methoxy-6-methylol-tetrahydropyran-3,4-diol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H54O16/c1-9-38-14-17-22(24(39-10-2)26(40-11-3)28(37-8)42-17)45-29-25(36-7)23(35-6)21(16(43-29)13-33-4)44-27-19(32)18(31)20(34-5)15(12-30)41-27/h15-32H,9-14H2,1-8H3

>  <PUBCHEM_IUPAC_INCHIKEY>
QOWAMIUFBNBINS-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-2

>  <PUBCHEM_EXACT_MASS>
658.341186

>  <PUBCHEM_MOLECULAR_FORMULA>
C29H54O16

>  <PUBCHEM_MOLECULAR_WEIGHT>
658.7

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)CO)OC)O)O)OC)OC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)CO)OC)O)O)OC)OC

>  <PUBCHEM_CACTVS_TPSA>
181

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
658.341186

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
45

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
15

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
20  1  3
21  1  3
27  10  3
28  11  3
31  13  3
29  14  3
22  30  3
24  33  3
17  3  3
26  3  3
32  34  3
18  5  3
19  6  3
23  8  3
25  9  3

$$$$
