71571511
 OpenBabel05082101102D

 47 49  0  0  1  0  0  0  0  0999 V2000
    6.4704    3.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6369    1.1888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3873    3.6652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4276    2.6431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7204    1.9360    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9178    2.7823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3562    1.8835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7633    3.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -1.7832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.2832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.7832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -0.7833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3410    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482    0.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0286    3.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1516    1.6894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5377    2.7715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375    1.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378    3.5271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3002    2.6639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.4732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.5932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2333    1.0993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9516    1.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4487    2.3204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0069    3.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.1917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.1917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.9032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -3.2463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -4.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5 39  1  0  0  0  0
  6 23  1  0  0  0  0
  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 22  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  6  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  1  0  0  0
 14 21  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17  7  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  1  0  0  0
 18  6  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  6  0  0  0
 19  8  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  6  0  0  0
 20 22  1  0  0  0  0
 20 35  1  6  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
71571511

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
408

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

>  <PUBCHEM_CACTVS_HBOND_DONOR>
4

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAAAAAAAAAAAAAAAAAAAASAAAAAkSAAABIAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4CwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[(4R,5S)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-methoxy-tetrahydropyran-3,5-diol

>  <PUBCHEM_IUPAC_CAS_NAME>
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[(4R,5S)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-methoxyoxane-3,5-diol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>)-2-(hydroxymethyl)-6-[[(4<I>R</I>,5<I>S</I>)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-methoxyoxane-3,5-diol

>  <PUBCHEM_IUPAC_NAME>
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[(4R,5S)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-methoxyoxane-3,5-diol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-6-[[(4R,5S)-3-methyl-4-oxidanyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]oxane-3,5-diol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R,4S,5S,6R)-2-[[(4R,5S)-4-hydroxy-3-methyl-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-methoxy-6-methylol-tetrahydropyran-3,5-diol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H24O9/c1-5-8(16)13-11(7(21-5)4-20-13)23-14-10(18)12(19-2)9(17)6(3-15)22-14/h5-18H,3-4H2,1-2H3/t5?,6-,7?,8-,9+,10-,11?,12+,13+,14?/m1/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
GYYDPBCUIJTIBM-DYOGSRDZSA-N

>  <PUBCHEM_XLOGP3_AA>
-2.2

>  <PUBCHEM_EXACT_MASS>
336.142032

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H24O9

>  <PUBCHEM_MOLECULAR_WEIGHT>
336.33

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C2C(C(O1)CO2)OC3C(C(C(C(O3)CO)O)OC)O)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1[C@H]([C@H]2C(C(O1)CO2)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OC)O)O

>  <PUBCHEM_CACTVS_TPSA>
127

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.142032

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
23

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

>  <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>
11  25  6
12  15  3
14  21  3
20  22  5
10  3  3
16  3  3
13  5  6
18  6  5
17  7  6
19  8  5

$$$$
