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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009245

Rha(a1-3)[coumaroyl(3-OH)(-4)]Glc2Ac(b)-O-EtPh(4-OH)

Formula: C31H38O15  |  Mol. Weight: 650.60 g/mol

IUPAC: [(2R,3R,4S,5R,6R)-5-acetyloxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C31H38O15
Molecular Weight 650.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC=C(C=C3)O)CO)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy