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Digitoxigenin Monodigitoxoside
FEATURES
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NAMES
  • Digitoxigenin Monodigitoxoside
SMILES
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O
InChI
InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18+,19+,20-,21+,22-,23+,25+,26-,27+,28-,29+/m1/s1
MOLECULAR FORMULA
C29H44O7
CROSS REFERENCES
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Digitoxigenin Monodigitoxoside

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 504.31
AlogP 3.49
HBond donors 3
HBond acceptors 7
Atoms 80
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Digitoxigenin Monodigitoxoside.