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3-O-Galloylsilybin
FEATURES
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NAMES
  • 3-O-Galloylsilybin
SMILES
COc1cc(C2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4OC(=O)c4cc(O)c(O)c(O)c4)ccc3OC2CO)ccc1O
InChI
InChI=1S/C32H26O14/c1-42-22-8-13(2-4-17(22)35)29-25(12-33)43-21-5-3-14(9-23(21)44-29)30-31(28(40)26-18(36)10-16(34)11-24(26)45-30)46-32(41)15-6-19(37)27(39)20(38)7-15/h2-11,25,29-31,33-39H,12H2,1H3/t25?,29?,30-,31+/m1/s1
MOLECULAR FORMULA
C32H26O14
CROSS REFERENCES
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3-O-Galloylsilybin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 634.13
AlogP 3.34
HBond donors 7
HBond acceptors 14
Atoms 72
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3-O-Galloylsilybin.