Liquiritin apioside

Base Information

• Chemical Name: Liquiritin apioside
• CAS No.: 74639-14-8
• Molecular Formula: C26H30O13
• Molecular Weight: 550.51
• UNII: 8T57TH2CCD
• DSSTox Substance ID: DTXSID20904894
• Nikkaji Number: J460.642F
• Wikidata: Q27270984
• ChEMBL ID: CHEMBL4205314
• Mol file: 74639-14-8.mol

Synonyms:Liquiritin apioside;74639-14-8;UNII-8T57TH2CCD;8T57TH2CCD;Liquiritigenin 4'-o-apiosyl-O-glucoside;Liquiritigenin-4'-o-apiosyl(1->2)glucoside;DTXSID20904894;4H-1-Benzopyran-4-one, 2-(4-((2-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)phenyl)-2,3-dihydro-7-hydroxy-, (2S)-;(2S)-2-[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]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one;(S)-2-(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)phenyl)-7-hydroxychroman-4-one;CHEMBL4205314;CHEBI:191629;DTXCID301334003;LIQUIRITIN APIOSIDE [INCI];HY-N1471;MFCD09260034;AKOS037514724;AC-34257;AS-35047;CS-0016965;A865847;Q27270984;4H-1-BENZOPYRAN-4-ONE, 2-(4-((2-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)PHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S)-

Chemical Property of Liquiritin apioside

Chemical Property:

• Boiling Point: 904.5±65.0 °C(Predicted)
• PKA: 7.70±0.40(Predicted)
• PSA: 204.83000
• Density: 1.65±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: -1.25770
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 550.16864101
• Heavy Atom Count: 39
• Complexity: 837

Purity/Quality:

95%-98% ^*data from raw suppliers

LiquiritinApioside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O
• Isomeric SMILES: C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O