1.0 2010-04-08 22:15:05 UTC 2019-11-26 03:19:05 UTC FDB020536 Neolicuroside Constituent of Glycyrrhiza uralensis (Chinese licorice). Neolicuroside is found in herbs and spices. Isoliquiritin apioside Licuraside Neolicuroside C26H30O13 550.5086 550.168641046 (2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-1-(2,4-dihydroxyphenyl)prop-2-en-1-one licuroside 120926-46-7 OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+ VMMVZVPAYFZNBM-FPYGCLRLSA-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-Hydroxychalcones Acetals Acryloyl compounds Aryl ketones Benzoyl derivatives Cinnamylphenols Disaccharides Enones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Primary alcohols Resorcinols Secondary alcohols Styrenes Tertiary alcohols Tetrahydrofurans Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone Acetal Acryloyl-group Alcohol Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Disaccharide Enone Flavonoid o-glycoside Glycosyl compound Hydrocarbon derivative Ketone Linear 1,3-diarylpropanoid 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 Resorcinol Secondary alcohol Styrene Tertiary alcohol Tetrahydrofuran Vinylogous acid Chalcones and dihydrochalcones logp -0.04 ALOGPS logs -2.94 ALOGPS solubility 6.27e-01 g/l ALOGPS melting_point Mp 140° logp 0.085 ChemAxon pka_strongest_acidic 7.78 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-1-(2,4-dihydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 550.5086 ChemAxon mono_mass 550.168641046 ChemAxon smiles OCC1OC(OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O ChemAxon formula C26H30O13 ChemAxon inchi InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+ ChemAxon inchikey VMMVZVPAYFZNBM-FPYGCLRLSA-N ChemAxon polar_surface_area 215.83 ChemAxon refractivity 131.63 ChemAxon polarizability 55.26 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 292087 Specdb::MsMs 292088 Specdb::MsMs 292089 Specdb::MsMs 332188 Specdb::MsMs 332189 Specdb::MsMs 332190 Specdb::MsMs 2277258 Specdb::MsMs 2277259 Specdb::MsMs 2277260 Specdb::MsMs 3088219 Specdb::MsMs 3088220 Specdb::MsMs 3088221 Specdb::CMs 11816 Specdb::CMs 46933 Specdb::CMs 281723 Specdb::CMs 326104 Specdb::CMs 326105 Specdb::CMs 326106 Specdb::CMs 326107 Specdb::CMs 326108 Specdb::CMs 326109 Specdb::CMs 326110 Specdb::CMs 326111 Specdb::CMs 326112 Specdb::CMs 326113 Specdb::CMs 326114 Specdb::CMs 326115 Specdb::CMs 326116 Specdb::CMs 326117 Specdb::CMs 326118 Specdb::CMs 326119 Specdb::CMs 326120 Specdb::CMs 326121 Specdb::CMs 326122 Specdb::CMs 326123 Specdb::CMs 326124 Specdb::CMs 326125 Specdb::NmrOneD 43102 Specdb::NmrOneD 43103 Specdb::NmrOneD 43104 Specdb::NmrOneD 43105 Specdb::NmrOneD 43106 Specdb::NmrOneD 43107 Specdb::NmrOneD 43108 Specdb::NmrOneD 43109 Specdb::NmrOneD 43110 Specdb::NmrOneD 43111 Specdb::NmrOneD 43112 Specdb::NmrOneD 43113 Specdb::NmrOneD 43114 Specdb::NmrOneD 43115 Specdb::NmrOneD 43116 Specdb::NmrOneD 43117 Specdb::NmrOneD 43118 Specdb::NmrOneD 43119 Specdb::NmrOneD 43120 Specdb::NmrOneD 43121 HMDB40728 #<Reference:0x000055ce31e90fc0> Herbs and Spices Unknown generic