31340
 OpenBabel05082101102D

 85 86  0  0  1  0  0  0  0  0999 V2000
    6.5985    0.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1532    1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9367    3.1454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9182    2.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2137    3.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3091    3.7377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8358   -2.6232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2694    3.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5382    0.5886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1538    1.3766    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5946    2.2057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6334    1.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.8511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -1.8511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -2.3511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -1.8511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.8511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3262   -0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8454    2.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831    2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    3.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -1.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6825    2.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6359    4.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1302    2.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9022   -1.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    2.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240    2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    1.9189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2100    2.2812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715    1.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.6611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9158   -0.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173    0.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3061    2.9605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    3.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.9337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6609    1.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3022    2.1332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042    2.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2185    4.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8480    5.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0533    5.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -4.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -3.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -4.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -4.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1345   -1.8332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4771   -1.0261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700   -0.6835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9707    2.9870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281    2.1799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352    1.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066    2.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    2.6712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    1.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 29  1  0  0  0  0
  9 37  1  0  0  0  0
 10 30  1  0  0  0  0
 10 40  1  0  0  0  0
 11 31  1  0  0  0  0
 11 43  1  0  0  0  0
 12 32  2  0  0  0  0
 13 33  2  0  0  0  0
 14 34  2  0  0  0  0
 15 35  2  0  0  0  0
 16 36  2  0  0  0  0
 17 37  2  0  0  0  0
 18 40  2  0  0  0  0
 19 43  2  0  0  0  0
 20  2  1  6  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21  4  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  1  0  0  0
 22  5  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 30  1  0  0  0  0
 23 50  1  1  0  0  0
 24  2  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  1  0  0  0
 25  6  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  1  0  0  0
 26  7  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  6  0  0  0
 27  8  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  1  0  0  0
 28 31  1  0  0  0  0
 28 55  1  6  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 41  1  0  0  0  0
 35 42  1  0  0  0  0
 36 44  1  0  0  0  0
 37 45  1  0  0  0  0
 38 62  1  0  0  0  0
 38 63  1  0  0  0  0
 38 64  1  0  0  0  0
 39 65  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 40 46  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
 41 70  1  0  0  0  0
 42 71  1  0  0  0  0
 42 72  1  0  0  0  0
 42 73  1  0  0  0  0
 43 47  1  0  0  0  0
 44 74  1  0  0  0  0
 44 75  1  0  0  0  0
 44 76  1  0  0  0  0
 45 77  1  0  0  0  0
 45 78  1  0  0  0  0
 45 79  1  0  0  0  0
 46 80  1  0  0  0  0
 46 81  1  0  0  0  0
 46 82  1  0  0  0  0
 47 83  1  0  0  0  0
 47 84  1  0  0  0  0
 47 85  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
31340

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
1210

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
19

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
21

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAAAAAAAAGgAAAAAACBSwgAMCCAAABAAIAACQCAAAAAAAAAAAAAAAAAARAAIAAAAiAAAFAAAGAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate

>  <PUBCHEM_IUPAC_CAS_NAME>
acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)-2-oxolanyl]oxy]-2-oxanyl]methyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-3,4,5-triacetyloxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate

>  <PUBCHEM_IUPAC_NAME>
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxy-oxan-2-yl]methyl ethanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
ZIJKGAXBCRWEOL-SAXBRCJISA-N

>  <PUBCHEM_XLOGP3_AA>
-0.9

>  <PUBCHEM_EXACT_MASS>
678.200729

>  <PUBCHEM_MOLECULAR_FORMULA>
C28H38O19

>  <PUBCHEM_MOLECULAR_WEIGHT>
678.6

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

>  <PUBCHEM_CACTVS_TPSA>
238

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
678.200729

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
47

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
9

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <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  2  6
24  2  6
23  30  6
28  31  5
21  4  6
22  5  5
25  6  6
26  7  5
27  8  6

$$$$
