BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039331

(1S,2R,4S,8aR)-1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid

Formula: C26H36O13  |  Mol. Weight: 556.60 g/mol

IUPAC: (1S,2R,4S,8aR)-1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid

3D View Find Similar

Overview

Molecular Formula C26H36O13
Molecular Weight 556.60 g/mol
Canonical SMILES CC1(C2CCCC(=C2C(CC1(C(=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CC(C4=COC=C4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy