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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023650

2'',3'',6''-Trigalloyliriflophenone 3-C-glucoside

Formula: C40H32O22  |  Mol. Weight: 864.70 g/mol

IUPAC: [3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C40H32O22
Molecular Weight 864.70 g/mol
Canonical SMILES C1=CC(=CC=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy