
 CHEMBL335974

 78 85  0  0  0  0  0  0  0  0999 V2000
    2.8963    0.7040   -3.8587 C   0  0  0  0  0
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   11.0638    4.4402   -5.7292 H   0  0  0  0  0
    9.8956    2.8601   -2.2136 H   0  0  0  0  0
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    7.6499    5.9840    0.9922 H   0  0  0  0  0
    6.4564    6.0898    3.1373 H   0  0  0  0  0
    6.6180    1.7768    3.4177 H   0  0  0  0  0
    7.8813    1.6841    1.3589 H   0  0  0  0  0
    3.4330    3.8051    6.0987 H   0  0  0  0  0
    2.7527    1.9470    7.5809 H   0  0  0  0  0
    4.2968    0.0468    7.9852 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL335974

>  <PubChem CID>
44353073

>  <Formula>
C34H32O12

>  <Molecular Weight>
632.618000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)OC(=O)C7=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)OC(=O)C7=CC=C(C=C7)C(=O)C8=CC=CC=C8)O

>  <InChI Std. ID>
InChI=1S/C34H32O12/c1-15-25(37)43-23-22(36)32-20-14-19(30(2,3)4)31(32)24(27(39)45-29(31)46-34(32,28(40)42-20)33(15,23)41)44-26(38)18-12-10-17(11-13-18)21(35)16-8-6-5-7-9-16/h5-13,15,19-20,22-24,29,36,41H,14H2,1-4H3/t15-,19+,20?,22+,23+,24+,29?,31?,32+,33-,34?/m1/s1

>  <InChI Key>
HFSFFWWJGUVFIG-NONKOTCCSA-N

