1.0 2010-04-08 22:11:06 UTC 2025-11-19 00:44:03 UTC FDB014127 Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] is found in herbs and spices. 7,4'-Dihydroxyflavanone 4'-[3-acetylapiosy-l(1->2)-glucoside] Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] C28H32O14 592.5453 592.179205732 5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-3-(hydroxymethyl)oxolan-3-yl acetate 5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-3-(hydroxymethyl)oxolan-3-yl acetate 226946-10-7 CC(=O)OC1(CO)COC(OC2C(O)C(O)C(CO)OC2OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C1O InChI=1S/C28H32O14/c1-13(31)42-28(11-30)12-37-27(25(28)36)41-24-23(35)22(34)21(10-29)40-26(24)38-16-5-2-14(3-6-16)19-9-18(33)17-7-4-15(32)8-20(17)39-19/h2-8,19,21-27,29-30,32,34-36H,9-12H2,1H3 DFVHSVJRAHZUGZ-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 Disaccharides Flavanones Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Primary alcohols Secondary alcohols Tetrahydrofurans 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 Disaccharide Ether Flavan Flavanone Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Primary alcohol Secondary alcohol Tetrahydrofuran logp 0.28 ALOGPS logs -2.82 ALOGPS solubility 8.96e-01 g/l ALOGPS logp -0.61 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-3-(hydroxymethyl)oxolan-3-yl acetate ChemAxon average_mass 592.5453 ChemAxon mono_mass 592.179205732 ChemAxon smiles CC(=O)OC1(CO)COC(OC2C(O)C(O)C(CO)OC2OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C1O ChemAxon formula C28H32O14 ChemAxon inchi InChI=1S/C28H32O14/c1-13(31)42-28(11-30)12-37-27(25(28)36)41-24-23(35)22(34)21(10-29)40-26(24)38-16-5-2-14(3-6-16)19-9-18(33)17-7-4-15(32)8-20(17)39-19/h2-8,19,21-27,29-30,32,34-36H,9-12H2,1H3 ChemAxon inchikey DFVHSVJRAHZUGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 210.9 ChemAxon refractivity 137.28 ChemAxon polarizability 59.64 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43578 Specdb::MsMs 43579 Specdb::MsMs 43580 Specdb::MsMs 172428 Specdb::MsMs 172429 Specdb::MsMs 172430 Specdb::MsMs 2833677 Specdb::MsMs 2833678 Specdb::MsMs 2833679 Specdb::MsMs 2871305 Specdb::MsMs 2871306 Specdb::MsMs 2871307 Specdb::CMs 23041 Specdb::CMs 44392 Specdb::CMs 282905 Specdb::CMs 423063 Specdb::CMs 423064 Specdb::CMs 423065 Specdb::CMs 423066 Specdb::CMs 423067 Specdb::CMs 423068 Specdb::CMs 423069 Specdb::CMs 423070 Specdb::CMs 423071 Specdb::CMs 423072 Specdb::CMs 423073 Specdb::CMs 423074 Specdb::CMs 423075 Specdb::CMs 423076 Specdb::CMs 423077 Specdb::CMs 423078 Specdb::CMs 423079 Specdb::CMs 423080 Specdb::CMs 423081 Specdb::CMs 423082 Specdb::CMs 423083 Specdb::CMs 423084 Specdb::NmrOneD 131498 Specdb::NmrOneD 131499 Specdb::NmrOneD 131500 Specdb::NmrOneD 131501 Specdb::NmrOneD 131502 Specdb::NmrOneD 131503 Specdb::NmrOneD 131504 Specdb::NmrOneD 131505 Specdb::NmrOneD 131506 Specdb::NmrOneD 131507 Specdb::NmrOneD 131508 Specdb::NmrOneD 131509 Specdb::NmrOneD 131510 Specdb::NmrOneD 131511 Specdb::NmrOneD 131512 Specdb::NmrOneD 131513 Specdb::NmrOneD 131514 Specdb::NmrOneD 131515 Specdb::NmrOneD 131516 Specdb::NmrOneD 131517 HMDB35444 #<Reference:0x000055ce30267ee8> Herbs and Spices Unknown generic