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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009477

(4S,5E,6S)-5-ethylidene-4-[2-[2-(3-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

Formula: C24H30O12  |  Mol. Weight: 510.50 g/mol

IUPAC: (4S,5E,6S)-5-ethylidene-4-[2-[2-(3-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

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Overview

Molecular Formula C24H30O12
Molecular Weight 510.50 g/mol
Canonical SMILES CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC(=O)OCCC3=CC(=CC=C3)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy