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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001198

(2S,3S,4R)-2-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-ethenyl-4-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula: C25H30O13  |  Mol. Weight: 538.50 g/mol

IUPAC: (2S,3S,4R)-2-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-ethenyl-4-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid

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Overview

Molecular Formula C25H30O13
Molecular Weight 538.50 g/mol
Canonical SMILES C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)C(=O)O)CCO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy