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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005684

1-O-[(E)-3-[3-hydroxy-5-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] 5-O-methyl 3-hydroxy-3-methylpentanedioate

Formula: C23H32O13  |  Mol. Weight: 516.50 g/mol

IUPAC: 1-O-[(E)-3-[3-hydroxy-5-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] 5-O-methyl 3-hydroxy-3-methylpentanedioate

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Overview

Molecular Formula C23H32O13
Molecular Weight 516.50 g/mol
Canonical SMILES CC(CC(=O)OC)(CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy