BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024361

(8R,8'R)-Secoisolariciresinol 9,9'-bis-[4-carboxy-3-hydroxy-3-methylbutanoyl-(->6)-glucoside]

Formula: C44H62O24  |  Mol. Weight: 974.90 g/mol

IUPAC: 5-[[6-[3-[[6-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

3D View Find Similar

Overview

Molecular Formula C44H62O24
Molecular Weight 974.90 g/mol
Canonical SMILES CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OCC(CC2=CC(=C(C=C2)O)OC)C(CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)COC(=O)CC(C)(CC(=O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy