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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008266

3-[(6-Deoxy-I+/--L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl I(2)-D-galactopyranosiduronic acid

Formula: C27H28O16  |  Mol. Weight: 608.50 g/mol

IUPAC: (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxyoxane-2-carboxylic acid

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Overview

Molecular Formula C27H28O16
Molecular Weight 608.50 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)C5=CC=C(C=C5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy