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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011708

(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,6R)-6-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-hydroxy-4-methoxy-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C35H58O11  |  Mol. Weight: 654.80 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3S,4R,6R)-6-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-hydroxy-4-methoxy-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C35H58O11
Molecular Weight 654.80 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)O)O)C)C)C5CC(C(C(O5)OC6C(C(C(C(O6)CO)O)O)O)(C)O)(C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy