1.0 2010-04-08 22:15:25 UTC 2025-11-19 02:35:10 UTC FDB021036 Neoliquiritin 4'-[apiosyl-(1->2)-glucoside] Constituent of Glycyrrhiza glabra (licorice). Neoliquiritin 4'-[apiosyl-(1->2)-glucoside] is found in tea and herbs and spices. 7,4'-Dihydroxyflavanone 7-glucoside-4'-apiosyl-(1->2)-glucoside Glucoliquiritin apioside Liquiritigenin 4'-[apiosyl-(1->2)-glucoside] 7-glucoside Liquiritigenin 4'-O-[b-D-apiofuranosyl-(1->2)-b-D-glucopyranoside] 7-O-b-D-glucopyranoside Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside Liquiritin 2''-apioside 7-glucoside Neoliquiritin 4'-[apiosyl-(1->2)-glucoside] C32H40O18 712.6492 712.221464476 2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one 157226-47-6 OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)C(O)C1O InChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2 JUYBMOHJXUXKDN-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 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 Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans 1-benzopyran Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Disaccharide Ether Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Ketone Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -0.98 ALOGPS logs -2.39 ALOGPS solubility 2.94e+00 g/l ALOGPS melting_point Mp 157-158° logp -3.3 ChemAxon pka_strongest_acidic 11.66 ChemAxon pka_strongest_basic -3.1 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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 712.6492 ChemAxon mono_mass 712.221464476 ChemAxon smiles OCC1OC(OC2=CC3=C(C=C2)C(=O)CC(O3)C2=CC=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C=C2)C(O)C(O)C1O ChemAxon formula C32H40O18 ChemAxon inchi InChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2 ChemAxon inchikey JUYBMOHJXUXKDN-UHFFFAOYSA-N ChemAxon polar_surface_area 283.98 ChemAxon refractivity 160.27 ChemAxon polarizability 70.69 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 304891 Specdb::MsMs 304892 Specdb::MsMs 304893 Specdb::MsMs 348220 Specdb::MsMs 348221 Specdb::MsMs 348222 Specdb::MsMs 2408549 Specdb::MsMs 2408550 Specdb::MsMs 2408551 Specdb::MsMs 2554222 Specdb::MsMs 2554223 Specdb::MsMs 2554224 Specdb::CMs 757366 Specdb::CMs 757367 Specdb::CMs 757368 Specdb::CMs 757369 Specdb::CMs 757370 Specdb::CMs 757371 Specdb::CMs 757372 Specdb::CMs 757373 Specdb::CMs 757374 Specdb::CMs 757375 Specdb::CMs 757376 Specdb::CMs 757377 Specdb::CMs 757378 Specdb::CMs 757379 Specdb::CMs 757380 Specdb::CMs 757381 Specdb::CMs 757382 Specdb::CMs 757383 Specdb::CMs 757384 Specdb::CMs 757385 Specdb::CMs 757386 Specdb::CMs 757387 Specdb::CMs 757388 Specdb::CMs 757389 Specdb::CMs 757390 Specdb::NmrOneD 44902 Specdb::NmrOneD 44903 Specdb::NmrOneD 44904 Specdb::NmrOneD 44905 Specdb::NmrOneD 44906 Specdb::NmrOneD 44907 Specdb::NmrOneD 44908 Specdb::NmrOneD 44909 Specdb::NmrOneD 44910 Specdb::NmrOneD 44911 Specdb::NmrOneD 44912 Specdb::NmrOneD 44913 Specdb::NmrOneD 44914 Specdb::NmrOneD 44915 Specdb::NmrOneD 44916 Specdb::NmrOneD 44917 Specdb::NmrOneD 44918 Specdb::NmrOneD 44919 Specdb::NmrOneD 44920 Specdb::NmrOneD 44921 HMDB41149 #<Reference:0x000055ce318e0d50> 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