BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018595

Gummiferin (dipotassium)

Formula: C31H44K2O18S2  |  Mol. Weight: 847.00 g/mol

IUPAC: dipotassium;[(2R,3R,4R,5R,6R)-2-[[(1S,4S,7S,9S,10S,13S,15S)-5,5-dicarboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate

3D View Find Similar

Overview

Molecular Formula C31H44K2O18S2
Molecular Weight 847.00 g/mol
Canonical SMILES CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)C)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy