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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009478

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

Formula: C25H32O14  |  Mol. Weight: 556.50 g/mol

IUPAC: methyl (4S,5E,6S)-4-[2-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl]-5-ethylidene-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 C25H32O14
Molecular Weight 556.50 g/mol
Canonical SMILES CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC(C3=CC(=C(C=C3)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy