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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022856

Heptagalloylglucose

Formula: C55H40O34  |  Mol. Weight: 1244.90 g/mol

IUPAC: (3S,4S,5R,6S)-3,4,5,6,7-pentahydroxy-3,4,5,6,7-pentakis(3,4,5-trihydroxybenzoyl)-1,8-bis(3,4,5-trihydroxyphenyl)octane-1,2,8-trione

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Overview

Molecular Formula C55H40O34
Molecular Weight 1244.90 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(C(=O)C2=CC(=C(C(=C2)O)O)O)(C(C(=O)C3=CC(=C(C(=C3)O)O)O)(C(C(=O)C4=CC(=C(C(=C4)O)O)O)(C(C(=O)C5=CC(=C(C(=C5)O)O)O)(C(C(=O)C6=CC(=C(C(=C6)O)O)O)(C(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy