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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038470

[2-acetyloxy-4-[5-hydroxy-4-oxo-3,7-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-2-yl]phenyl] acetate

Formula: C31H34O19  |  Mol. Weight: 710.60 g/mol

IUPAC: [2-acetyloxy-4-[5-hydroxy-4-oxo-3,7-bis[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-2-yl]phenyl] acetate

Overview

Molecular Formula C31H34O19
Molecular Weight 710.60 g/mol
Canonical SMILES CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy