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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006665

[(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-10-acetyloxy-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-9-yl] acetate

Formula: C28H38O14  |  Mol. Weight: 598.60 g/mol

IUPAC: [(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-10-acetyloxy-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-9-yl] acetate

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Overview

Molecular Formula C28H38O14
Molecular Weight 598.60 g/mol
Canonical SMILES CC(=O)OC1CC(C2CCC3(C(=O)OC(CC3(C2C1OC(=O)C)C)C4=COC=C4)O)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy