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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019152

[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-3-yl] acetate

Formula: C21H30O14  |  Mol. Weight: 506.50 g/mol

IUPAC: [(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-3-yl] acetate

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Overview

Molecular Formula C21H30O14
Molecular Weight 506.50 g/mol
Canonical SMILES CC(=O)OC1C(C(C(OC1OCCC2=CC(=C(C=C2)O)O)CO)O)OC3C(C(C(C(O3)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy