2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin

Base Information

• Chemical Name: 2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin
• CAS No.: 94535-60-1
• Molecular Formula: C39H32 O15
• Molecular Weight: 740.66
• Metabolomics Workbench ID: 47776
• Mol file: 94535-60-1.mol

Synonyms:astragalin-2'',4''-di-p-coumaroil;kaempferol-2,4-dicoumaroyl-3-O-glucoside;KDCG

Chemical Property of 2'',4''-Bis-O-(4-hydroxycinnamoyl)astragalin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1006.8°Cat760mmHg
• Flash Point: 314.2°C
• PSA: 242.88000
• Density: 1.63g/cm³
• LogP: 3.69530
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 740.17412031
• Heavy Atom Count: 54
• Complexity: 1390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)OC2C(OC(C(C2O)OC(=O)C=CC3=CC=C(C=C3)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)OC2C(OC(C(C2O)OC(=O)/C=C/C3=CC=C(C=C3)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O