
 CHEMBL337840

 80 87  0  0  0  0  0  0  0  0999 V2000
    1.5643    1.2203   -2.7051 C   0  0  0  0  0
    2.5747    2.2398   -2.2033 C   0  0  0  0  0
    2.0493    3.0332   -1.0261 C   0  0  0  0  0
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    3.2377    4.5372   -2.2697 C   0  0  0  0  0
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    4.2102    3.2432   -4.0504 C   0  0  0  0  0
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    3.1668    3.6617   -6.2173 O   0  0  0  0  0
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    6.5830    3.1071   -3.5389 C   0  0  0  0  0
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    8.0760    1.9234    2.0828 C   0  0  0  0  0
    7.7849    2.1730    3.4295 C   0  0  0  0  0
    7.5188    3.4758    3.8587 C   0  0  0  0  0
    7.4919    4.5132    2.9162 C   0  0  0  0  0
    7.7767    4.2609    1.5692 C   0  0  0  0  0
    7.2098    3.8024    5.2790 C   0  0  0  0  0
    6.4852    4.7665    5.5193 O   0  0  0  0  0
    7.7452    3.0109    6.4200 C   0  0  0  0  0
    9.0250    2.4464    6.4029 C   0  0  0  0  0
    9.4887    1.7287    7.5108 C   0  0  0  0  0
    8.6840    1.5910    8.6429 C   0  0  0  0  0
    7.4204    2.1754    8.6749 C   0  0  0  0  0
    6.9514    2.8885    7.5700 C   0  0  0  0  0
    1.7392    3.6856   -3.9248 O   0  0  0  0  0
    1.4306    0.4249   -1.9632 H   0  0  0  0  0
    1.9074    0.7567   -3.6353 H   0  0  0  0  0
    0.5775    1.6634   -2.8745 H   0  0  0  0  0
    3.4556    1.7045   -1.8468 H   0  0  0  0  0
    2.9646    5.4964   -2.7245 H   0  0  0  0  0
    5.4360    6.2115   -3.7966 H   0  0  0  0  0
    5.1656    5.3708   -1.6082 H   0  0  0  0  0
    4.7507    3.7889   -0.1578 H   0  0  0  0  0
    8.3782    3.5630   -4.7062 H   0  0  0  0  0
    7.6670    5.5250   -4.0741 H   0  0  0  0  0
    6.3622    5.8180   -6.5309 H   0  0  0  0  0
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    8.5486    2.9480   -8.1694 H   0  0  0  0  0
    9.2993    3.7345   -6.7798 H   0  0  0  0  0
    7.0841    0.7121   -5.8496 H   0  0  0  0  0
    8.7430    1.3359   -5.5987 H   0  0  0  0  0
    8.1235    0.9948   -7.2090 H   0  0  0  0  0
    5.2669    2.1625   -6.6114 H   0  0  0  0  0
    6.1656    2.3024   -8.0945 H   0  0  0  0  0
    5.6120    3.7706   -7.3267 H   0  0  0  0  0
    8.6355    3.3267   -2.7808 H   0  0  0  0  0
    5.4645    1.6044   -2.4110 H   0  0  0  0  0
    9.3778    3.2755   -0.5333 H   0  0  0  0  0
    8.7191    1.6307   -0.4015 H   0  0  0  0  0
    8.2988    0.9024    1.7760 H   0  0  0  0  0
    7.7621    1.3357    4.1228 H   0  0  0  0  0
    7.2547    5.5276    3.2339 H   0  0  0  0  0
    7.7657    5.0848    0.8597 H   0  0  0  0  0
    9.6838    2.5704    5.5469 H   0  0  0  0  0
   10.4820    1.2876    7.4971 H   0  0  0  0  0
    9.0494    1.0385    9.5052 H   0  0  0  0  0
    6.7992    2.0835    9.5639 H   0  0  0  0  0
    5.9691    3.3540    7.6078 H   0  0  0  0  0
    1.6799    3.1165   -4.7228 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL337840

>  <PubChem CID>
44353099

>  <Formula>
C34H34O12

>  <Molecular Weight>
634.634000

>  <IUPAC Name>


>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)OCC7=CC=C(C=C7)C(=O)C8=CC=CC=C8)O

>  <Isomeric SMILES>
C[C@@H]1C(=O)O[C@@H]2[C@]1(C34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)OC6O4)OCC7=CC=C(C=C7)C(=O)C8=CC=CC=C8)O

>  <InChI Std. ID>
InChI=1S/C34H34O12/c1-15-26(38)43-24-22(37)32-23-20(36)21(30(2,3)4)31(32)25(27(39)45-29(31)46-34(32,28(40)44-23)33(15,24)41)42-14-16-10-12-18(13-11-16)19(35)17-8-6-5-7-9-17/h5-13,15,20-25,29,36-37,41H,14H2,1-4H3/t15-,20-,21+,22+,23?,24+,25+,29?,31?,32-,33-,34?/m1/s1

>  <InChI Key>
IUPPHAUUEPOJND-RZWLPKJOSA-N

