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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038320

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol

Formula: C36H62O9  |  Mol. Weight: 638.90 g/mol

IUPAC: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R)-6-methyl-2-[(6R,10R,12S,13R,14R,17S)-3,6,12-trihydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C36H62O9
Molecular Weight 638.90 g/mol
Canonical SMILES CC(=CCCC(C)(C1(CCC2(C1C(CC3C2CC(C4C3(CCC(C4(C)C)O)C)O)O)C)C)OC5C(C(C(C(O5)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy