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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005420

galloyl(-3)[galloyl(-4)][galloyl(-6)]a-Glc1Me

Formula: C28H26O18  |  Mol. Weight: 650.50 g/mol

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

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Overview

Molecular Formula C28H26O18
Molecular Weight 650.50 g/mol
Canonical SMILES COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy