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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010350

Ligurobustoside O

Formula: C31H42O13  |  Mol. Weight: 622.70 g/mol

IUPAC: [(2R,3R,4R,5R,6R)-6-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C31H42O13
Molecular Weight 622.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC=C(C=C3)O)CO)OCC=C(C)CCC(=O)C(=C)C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy