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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013224

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate

Formula: C21H22O11  |  Mol. Weight: 450.40 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate

Overview

Molecular Formula C21H22O11
Molecular Weight 450.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC=C(C=C3)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy