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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018954

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[10-(hydroxymethyl)-17-[1-hydroxy-5-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhex-4-enyl]-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

Formula: C41H70O14  |  Mol. Weight: 787.00 g/mol

IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[10-(hydroxymethyl)-17-[1-hydroxy-5-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhex-4-enyl]-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

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Overview

Molecular Formula C41H70O14
Molecular Weight 787.00 g/mol
Canonical SMILES CC(=CCCC(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)CO)C)C)(O)OC6C(C(C(C(O6)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy