BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017387

5-[(2R,6R)-2,6-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-4-methoxycarbonylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula: C32H34O16  |  Mol. Weight: 674.60 g/mol

IUPAC: 5-[(2R,6R)-2,6-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxy-4-methoxycarbonylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid

3D View Find Similar

Overview

Molecular Formula C32H34O16
Molecular Weight 674.60 g/mol
Canonical SMILES CC(CC(=O)O)(CC(=O)OC1C(CC(CC1OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)OC)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy