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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027654

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

Formula: C24H26O13  |  Mol. Weight: 522.50 g/mol

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

Overview

Molecular Formula C24H26O13
Molecular Weight 522.50 g/mol
Canonical SMILES COC1=C(C(=CC=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)C3CC(=O)C4=C(O3)C(=C(C=C4O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy