1.0 2010-04-08 22:08:12 UTC 2019-11-26 03:02:59 UTC FDB008690 Licorice glycoside C2 Constituent of Glycyrrhiza uralensis (Chinese licorice). Licorice glycoside C2 is found in herbs and spices. (2S)-7,4'-Dihydroxyflavanone 4'-[4-feruloylapiosyl-(1->2)-glucoside] Licorice glycoside C2 C36H38O16 726.6773 726.215985168 [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)-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate [5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate COC1=C(O)C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=CC=C(C=C3)C3CC(=O)C4=C(O3)C=C(O)C=C4)C2O)=C1 InChI=1S/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+ GSIREHLZHMQJNR-QDEBKDIKSA-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 Anisoles Aryl alkyl ketones Chromones Cinnamic acid esters Coumaric acids and derivatives Disaccharides Enoate esters Fatty acid esters Flavanones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Primary alcohols Secondary alcohols Styrenes Tertiary alcohols Tetrahydrofurans 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Disaccharide Enoate ester Ether Fatty acid ester Fatty acyl Flavan Flavanone Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Ketone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Primary alcohol Secondary alcohol Styrene Tertiary alcohol Tetrahydrofuran logp 1.81 ALOGPS logs -3.56 ALOGPS solubility 2.00e-01 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_acidic 7.79 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)-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 726.6773 ChemAxon mono_mass 726.215985168 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=CC=C(C=C3)C3CC(=O)C4=C(O3)C=C(O)C=C4)C2O)=C1 ChemAxon formula C36H38O16 ChemAxon inchi InChI=1S/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+ ChemAxon inchikey GSIREHLZHMQJNR-QDEBKDIKSA-N ChemAxon polar_surface_area 240.36 ChemAxon refractivity 176.14 ChemAxon polarizability 73.8 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 15 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93582 Specdb::MsMs 93583 Specdb::MsMs 93584 Specdb::MsMs 157374 Specdb::MsMs 157375 Specdb::MsMs 157376 Specdb::MsMs 2680341 Specdb::MsMs 2680342 Specdb::MsMs 2680343 Specdb::MsMs 3025515 Specdb::MsMs 3025516 Specdb::MsMs 3025517 Specdb::CMs 66645 Specdb::CMs 764789 Specdb::CMs 764790 Specdb::CMs 764791 Specdb::CMs 764792 Specdb::CMs 764793 Specdb::CMs 764794 Specdb::CMs 764795 Specdb::CMs 764796 Specdb::CMs 764797 Specdb::CMs 764798 Specdb::CMs 764799 Specdb::CMs 764800 Specdb::CMs 764801 Specdb::CMs 764802 Specdb::CMs 764803 Specdb::CMs 764804 Specdb::CMs 764805 Specdb::CMs 764806 Specdb::CMs 764807 Specdb::CMs 764808 Specdb::CMs 764809 Specdb::CMs 764810 Specdb::CMs 764811 Specdb::CMs 764812 HMDB31995 #<Reference:0x000055ce32322840> Herbs and Spices Unknown generic