BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007256

[(2R,3R,4S,5R,6R)-2-[(1R,2E,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C26H33NO12  |  Mol. Weight: 551.50 g/mol

IUPAC: [(2R,3R,4S,5R,6R)-2-[(1R,2E,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

3D View Find Similar

Overview

Molecular Formula C26H33NO12
Molecular Weight 551.50 g/mol
Canonical SMILES COC1CC(C(=CC#N)C(C1OC)O)OC2C(C(C(C(O2)CO)O)OC(=O)C=CC3=CC(=C(C=C3)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy