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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011914

(2S)-2-[(2R,3R,4R)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid

Formula: C20H16O15  |  Mol. Weight: 496.30 g/mol

IUPAC: (2S)-2-[(2R,3R,4R)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid

Overview

Molecular Formula C20H16O15
Molecular Weight 496.30 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(=O)OC2C(C(=O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy