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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038553

(1S,2R,3R,4R,6R)-4-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methylcyclohexane-1,2,3-triol

Formula: C21H32O11  |  Mol. Weight: 460.50 g/mol

IUPAC: (1S,2R,3R,4R,6R)-4-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methylcyclohexane-1,2,3-triol

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Overview

Molecular Formula C21H32O11
Molecular Weight 460.50 g/mol
Canonical SMILES CC1CC(C(C(C1O)O)O)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy