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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014574

Glc(b1-2)[coumaroyl(3-OH)(-6)]a-Glc

Formula: C21H28O14  |  Mol. Weight: 504.40 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C21H28O14
Molecular Weight 504.40 g/mol
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy