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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009139

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(E,2R)-4-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

Formula: C24H40O12  |  Mol. Weight: 520.60 g/mol

IUPAC: (2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(E,2R)-4-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

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Overview

Molecular Formula C24H40O12
Molecular Weight 520.60 g/mol
Canonical SMILES CC1=C(C(CC(C1O)O)(C)C)C=CC(C)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy