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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000875

glucodigitoxigenin 3-O-beta-D-quinovoside

Formula: C35H54O13  |  Mol. Weight: 682.80 g/mol

IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Overview

Molecular Formula C35H54O13
Molecular Weight 682.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy