1.0 2010-04-08 22:12:30 UTC 2019-11-26 03:13:28 UTC FDB016564 Liquiritin 2''-apioside Found in Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice) Liquiritin 2''-apioside Liquiritin apioside C26H30O13 550.5086 550.168641046 2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one 2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-7-hydroxy-2,3-dihydro-1-benzopyran-4-one 74639-14-8 OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2 FTVKHUHJWDMWIR-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 Chromones Disaccharides Flavanones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Primary alcohols Secondary alcohols Tertiary 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 Chromane Chromone Disaccharide Ether Flavan Flavanone Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone 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 Tertiary alcohol Tetrahydrofuran logp -0.12 ALOGPS logs -2.56 ALOGPS solubility 1.50e+00 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 550.5086 ChemAxon mono_mass 550.168641046 ChemAxon smiles OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O ChemAxon formula C26H30O13 ChemAxon inchi InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2 ChemAxon inchikey FTVKHUHJWDMWIR-UHFFFAOYSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 128.12 ChemAxon polarizability 55.19 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26442 Specdb::CMs 45424 Specdb::CMs 281721 Specdb::CMs 325784 Specdb::CMs 325785 Specdb::CMs 325786 Specdb::CMs 325787 Specdb::CMs 325788 Specdb::CMs 325789 Specdb::CMs 325790 Specdb::CMs 325791 Specdb::CMs 325792 Specdb::CMs 325793 Specdb::CMs 325794 Specdb::CMs 325795 Specdb::CMs 325796 Specdb::CMs 325797 Specdb::CMs 325798 Specdb::CMs 325799 Specdb::CMs 325800 Specdb::CMs 325801 Specdb::CMs 325802 Specdb::CMs 325803 Specdb::CMs 325804 Specdb::CMs 325805 Specdb::NmrOneD 141350 Specdb::NmrOneD 141351 Specdb::NmrOneD 141352 Specdb::NmrOneD 141353 Specdb::NmrOneD 141354 Specdb::NmrOneD 141355 Specdb::NmrOneD 141356 Specdb::NmrOneD 141357 Specdb::NmrOneD 141358 Specdb::NmrOneD 141359 Specdb::NmrOneD 141360 Specdb::NmrOneD 141361 Specdb::NmrOneD 141362 Specdb::NmrOneD 141363 Specdb::NmrOneD 141364 Specdb::NmrOneD 141365 Specdb::NmrOneD 141366 Specdb::NmrOneD 141367 Specdb::NmrOneD 141368 Specdb::NmrOneD 141369 Specdb::MsMs 76047 Specdb::MsMs 76048 Specdb::MsMs 76049 Specdb::MsMs 135783 Specdb::MsMs 135784 Specdb::MsMs 135785 Specdb::MsMs 440495 Specdb::MsMs 440496 Specdb::MsMs 452194 Specdb::MsMs 452195 Specdb::MsMs 2796002 Specdb::MsMs 2796003 Specdb::MsMs 2796004 Specdb::MsMs 2885741 Specdb::MsMs 2885742 Specdb::MsMs 2885743 HMDB37491 #<Reference:0x000055ce307fdf10> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442