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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035832

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid

Formula: C23H20O13  |  Mol. Weight: 504.40 g/mol

IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid

Overview

Molecular Formula C23H20O13
Molecular Weight 504.40 g/mol
Canonical SMILES COC1=C(OC2=CC3=C(C(=C2C1=O)O)OCO3)C4=CC=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy