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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033537

(2R,3R)-2-hydroxy-2-[(1S)-1-hydroxy-2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]-3-methylpentanoic acid

Formula: C21H30O12  |  Mol. Weight: 474.50 g/mol

IUPAC: (2R,3R)-2-hydroxy-2-[(1S)-1-hydroxy-2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]-3-methylpentanoic acid

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Overview

Molecular Formula C21H30O12
Molecular Weight 474.50 g/mol
Canonical SMILES CCC(C)C(C(C(=O)OCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O)(C(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy