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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000612

1,4,6-tri-O-galloyl-beta-D-glucose

Formula: C27H24O18  |  Mol. Weight: 636.50 g/mol

IUPAC: [(2R,3S,4R,5R,6S)-4,5-dihydroxy-3,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C27H24O18
Molecular Weight 636.50 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy