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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035776

Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside)

Formula: C30H32O18  |  Mol. Weight: 680.60 g/mol

IUPAC: 3-[[(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-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

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Overview

Molecular Formula C30H32O18
Molecular Weight 680.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)CC(=O)O)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