Licuroside

Base Information

• Chemical Name: Licuroside
• CAS No.: 120926-46-7
• Molecular Formula: C26H30 O13
• Molecular Weight: 550.5086
• Metabolomics Workbench ID: 26500
• Mol file: 120926-46-7.mol

Synonyms:Licuroside;CHEBI:193222;VMMVZVPAYFZNBM-FPYGCLRLSA-N;LMPK12120023;AKOS037514704;(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one;(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one;(E)-3-{4-[3-(3,4-Dihydroxy-4-hydroxymethyl-tetrahydro-furan-2-yloxy)-4,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy]-phenyl}-1-(2,4-dihydroxy-phenyl)-propenone

Chemical Property of Licuroside

Chemical Property:

• Vapor Pressure: 6.03E-35mmHg at 25°C
• Boiling Point: 901°Cat760mmHg
• Flash Point: 301.9°C
• PSA: 215.83000
• Density: 1.63g/cm³
• LogP: -1.36250
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 550.16864101
• Heavy Atom Count: 39
• Complexity: 833

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isoliquiritin apioside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O
• Isomeric SMILES: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O