BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011956

[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(3S,8R,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

Formula: C54H74O19  |  Mol. Weight: 1027.20 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(3S,8R,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

3D View Find Similar

Overview

Molecular Formula C54H74O19
Molecular Weight 1027.20 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CC=C3C2)O)C(C)OC6C(C(C(C(O6)CO)O)O)OC(=O)C7=CC=CC=C7)C)C)O)OC)OC8C(C(C(C(O8)COC(=O)C9=CC=CC=C9)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy