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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024370

Theogallinin

Formula: C36H32O21  |  Mol. Weight: 800.60 g/mol

IUPAC: 3-[2-[6-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxyphenoxy]carbonyl-1,4,5-trihydroxycyclohexane-1-carboxylic acid

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Overview

Molecular Formula C36H32O21
Molecular Weight 800.60 g/mol
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C=C(C(=C4O)O)O)OC(=O)C5CC(CC(C5O)O)(C(=O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy