
 CHEMBL130606

 79 86  0  0  0  0  0  0  0  0999 V2000
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    8.8815    3.1789   -3.4755 H   0  0  0  0  0
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    8.4359    3.4216    3.1807 H   0  0  0  0  0
    7.3766   -0.6741    2.3248 H   0  0  0  0  0
    7.8237   -0.2873   -0.0653 H   0  0  0  0  0
    8.2080    1.1873    6.9684 H   0  0  0  0  0
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    5.8284    4.6322    7.9304 H   0  0  0  0  0
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    5.8334    3.1142    3.9178 H   0  0  0  0  0
    1.9626    3.6767   -5.5218 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL130606

>  <PubChem CID>
44353136

>  <Formula>
C34H34O11

>  <Molecular Weight>
618.635000

>  <IUPAC Name>


>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)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](C5)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/C34H34O11/c1-16-26(37)43-24-23(36)32-21-14-20(30(2,3)4)31(32)25(27(38)44-29(31)45-34(32,28(39)42-21)33(16,24)40)41-15-17-10-12-19(13-11-17)22(35)18-8-6-5-7-9-18/h5-13,16,20-21,23-25,29,36,40H,14-15H2,1-4H3/t16-,20+,21?,23+,24+,25+,29?,31?,32+,33-,34?/m1/s1

>  <InChI Key>
KNRBUMMRKAYYBS-VWIVEZEFSA-N

