BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003492

methyl (1S,2S,3'R,4S,4'E,5S,6S,7S)-3'-hydroxy-4'-[(4-hydroxyphenyl)methylidene]-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-oxolane]-10-carboxylate

Formula: C26H28O14  |  Mol. Weight: 564.50 g/mol

IUPAC: methyl (1S,2S,3'R,4S,4'E,5S,6S,7S)-3'-hydroxy-4'-[(4-hydroxyphenyl)methylidene]-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-oxolane]-10-carboxylate

Overview

Molecular Formula C26H28O14
Molecular Weight 564.50 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1C3C(C24C(C(=CC5=CC=C(C=C5)O)C(=O)O4)O)O3)OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy