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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014573

Glc(b1-6)Glc(b)-O-coumaroyl(3-OH)

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

IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (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)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy