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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012290

(2S,3R,4S,5S,6R)-2-[[(1S,2S,4R,6S)-4-[(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]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C34H54O10  |  Mol. Weight: 622.80 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[[(1S,2S,4R,6S)-4-[(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]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C34H54O10
Molecular Weight 622.80 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)O)O)C)C)C5CC6(C(O6)(C(O5)OC7C(C(C(C(O7)CO)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy