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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032243

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid

Formula: C23H22O13  |  Mol. Weight: 506.40 g/mol

IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid

Overview

Molecular Formula C23H22O13
Molecular Weight 506.40 g/mol
Canonical SMILES COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=C(C=CC=C3OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy