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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000968

methyl (4R,6S)-6-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-oxoethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

Formula: C26H34O13  |  Mol. Weight: 554.50 g/mol

IUPAC: methyl (4R,6S)-6-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-oxoethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

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Overview

Molecular Formula C26H34O13
Molecular Weight 554.50 g/mol
Canonical SMILES COC(=O)C1=CCC(C(C1CC(=O)OCCC2=CC(=C(C=C2)O)O)CC=O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy