Licuraside

Base Information

• Chemical Name: Licuraside
• CAS No.: 29913-71-1
• Molecular Formula: C26H30 O13
• UNII: 3UT49C2OHM
• ChEMBL ID: CHEMBL1940910
• Nikkaji Number: J716.973F,J2.766.588H
• Wikidata: Q27258053
• Mol file: 29913-71-1.mol

Synonyms:Licraside;Licuraside;Liquirazide;Licurazid;29913-71-1;UNII-3UT49C2OHM;3UT49C2OHM;CHEMBL1940910;2-Propen-1-one, 1-(4-((2-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-2-hydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-;(E)-1-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one;(E)-1-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;HY-N6987;BDBM50362888;AKOS040741953;MS-30069;CS-0101434;D84916;Q27258053;(E)-1-[4-[(2S, 3R, 4S, 5S, 6R)-3-[(2S, 3R, 4R)-3, 4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;2-PROPEN-1-ONE, 1-(4-((2-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-HYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-, (2E)-;2-Propen-1-one,1-[4-[(2-O-D-apio-b-D-furanosyl-b-D-glucopyranosyl)oxy]-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-

Chemical Property of Licuraside

Chemical Property:

• 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% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C=C3)C(=O)C=CC4=CC=C(C=C4)O)O)CO)O)O)O)(CO)O
• Isomeric SMILES: C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C(C=C3)C(=O)/C=C/C4=CC=C(C=C4)O)O)CO)O)O)O)(CO)O