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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008364

3-[6-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid

Formula: C27H26O18  |  Mol. Weight: 638.50 g/mol

IUPAC: 3-[6-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid

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Overview

Molecular Formula C27H26O18
Molecular Weight 638.50 g/mol
Canonical SMILES C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3OC4=CC(=CC(=C4O)O)C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy