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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019276

dihydrophaseic acid 4-O-beta-D-glucoside

Formula: C21H32O10  |  Mol. Weight: 444.50 g/mol

IUPAC: (2Z,4E)-5-[(1R,3S,5R,8S)-8-hydroxy-1,5-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid

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Overview

Molecular Formula C21H32O10
Molecular Weight 444.50 g/mol
Canonical SMILES CC(=CC(=O)O)C=CC1(C2(CC(CC1(OC2)C)OC3C(C(C(C(O3)CO)O)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy