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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020216

3-hydroxy-5-methoxy-5-oxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid

Formula: C20H26O13  |  Mol. Weight: 474.40 g/mol

IUPAC: 3-hydroxy-5-methoxy-5-oxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid

Overview

Molecular Formula C20H26O13
Molecular Weight 474.40 g/mol
Canonical SMILES COC(=O)CC(CC(=O)O)(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy