Glycyrin

Base Information

• Chemical Name: Glycyrin
• CAS No.: 66056-18-6
• Molecular Formula: C22H22O6
• Molecular Weight: 382.413
• Hs Code.: 2932209090
• UNII: 994BQ9M3AV
• DSSTox Substance ID: DTXSID50216255
• Nikkaji Number: J179.710G
• Wikidata: Q27137426
• Metabolomics Workbench ID: 27870
• ChEMBL ID: CHEMBL132535
• Mol file: 66056-18-6.mol

Synonyms:glycyrin

Chemical Property of Glycyrin

Chemical Property:

• Vapor Pressure: 1.12E-15mmHg at 25°C
• Boiling Point: 614.1°Cat760mmHg
• PKA: 8.89±0.40(Predicted)
• Flash Point: 216.2°C
• PSA: 89.13000
• Density: 1.275g/cm³
• LogP: 4.39710
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 382.14163842
• Heavy Atom Count: 28
• Complexity: 623

Purity/Quality:

98%Min ^*data from raw suppliers

Glycyrin ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C
• Uses: Glycyrin can be used to treat COVID-19 based on network pharmacology and molecular docking. It can also be used to explore multi-component synergy mechanism of Banxia Xiexin, a prescription used to regulate spleen and stomach, decoction on Irritable Bowel Syndrome.