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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008380

methyl (4S,5E,6S)-4-[2-[(2S)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Formula: C26H34O15  |  Mol. Weight: 586.50 g/mol

IUPAC: methyl (4S,5E,6S)-4-[2-[(2S)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

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Overview

Molecular Formula C26H34O15
Molecular Weight 586.50 g/mol
Canonical SMILES COC(COC(=O)CC1C(=COC(C1=CCO)OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)C3=CC(=C(C=C3)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy