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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008316

[(3S,5S,8S,9S,10S,11S,12S,13S,14R,17S)-17-acetyl-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,12,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate

Formula: C40H64O14  |  Mol. Weight: 768.90 g/mol

IUPAC: [(3S,5S,8S,9S,10S,11S,12S,13S,14R,17S)-17-acetyl-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,12,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C40H64O14
Molecular Weight 768.90 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2C3(CCC(CC3CCC2(C4(CCC(C4(C1O)C)C(=O)C)O)O)OC5CC(C(C(O5)C)OC6C(C(C(C(O6)C)O)OC)O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy