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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006716

2-(3,4-Dihydroxyphenyl)-3-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl I(2)-D-glucopyranosiduronic acid

Formula: C33H38O23  |  Mol. Weight: 802.60 g/mol

IUPAC: (2S,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Overview

Molecular Formula C33H38O23
Molecular Weight 802.60 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy