1.0 2010-04-08 22:15:37 UTC 2019-11-26 03:20:12 UTC FDB021317 6''-Acetylliquiritin Constituent of Glycyrrhiza uralensis (Chinese licorice). 6''-Acetylliquiritin is found in herbs and spices. 6''-Acetylliquiritin 6''-O-Acetylliquiritin C23H24O10 460.4307 460.136946988 {3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxan-2-yl}methyl acetate {3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]oxan-2-yl}methyl acetate 166531-17-5 CC(=O)OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(O)C(O)C1O InChI=1S/C23H24O10/c1-11(24)30-10-19-20(27)21(28)22(29)23(33-19)31-14-5-2-12(3-6-14)17-9-16(26)15-7-4-13(25)8-18(15)32-17/h2-8,17,19-23,25,27-29H,9-10H2,1H3 HKUBLIRXXFRGKE-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Carboxylic acid esters Chromones Flavanones Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Chromone Ether Flavan Flavanone Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Secondary alcohol logp 0.91 ALOGPS logs -2.90 ALOGPS solubility 5.80e-01 g/l ALOGPS logp 0.66 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxan-2-yl}methyl acetate ChemAxon average_mass 460.4307 ChemAxon mono_mass 460.136946988 ChemAxon smiles CC(=O)OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(O)C(O)C1O ChemAxon formula C23H24O10 ChemAxon inchi InChI=1S/C23H24O10/c1-11(24)30-10-19-20(27)21(28)22(29)23(33-19)31-14-5-2-12(3-6-14)17-9-16(26)15-7-4-13(25)8-18(15)32-17/h2-8,17,19-23,25,27-29H,9-10H2,1H3 ChemAxon inchikey HKUBLIRXXFRGKE-UHFFFAOYSA-N ChemAxon polar_surface_area 151.98 ChemAxon refractivity 110.6 ChemAxon polarizability 46.07 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26451 Specdb::CMs 47289 Specdb::CMs 148647 Specdb::MsMs 324646 Specdb::MsMs 324647 Specdb::MsMs 324648 Specdb::MsMs 373105 Specdb::MsMs 373106 Specdb::MsMs 373107 Specdb::MsMs 2391160 Specdb::MsMs 2391161 Specdb::MsMs 2391162 Specdb::MsMs 2575426 Specdb::MsMs 2575427 Specdb::MsMs 2575428 HMDB41385 #<Reference:0x000055ce3060bf90> Herbs and Spices Unknown generic