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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011563

6''-Acetylapiin

Formula: C28H30O15  |  Mol. Weight: 606.50 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

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Overview

Molecular Formula C28H30O15
Molecular Weight 606.50 g/mol
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)OC5C(C(CO5)(CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy