1.0 2010-04-08 22:11:05 UTC 2025-11-19 00:43:59 UTC FDB014116 Cinchonain Id 7-glucoside Constituent of Eriobotrya japonica (loquat). Cinchonain Id 7-glucoside is found in fruits. Cinchonain Id 7-glucoside C30H30O14 614.5508 614.163555668 6,12-bis(3,4-dihydroxyphenyl)-13-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one 6,12-bis(3,4-dihydroxyphenyl)-13-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one OCC1OC(OC2=C3C(CC(=O)OC3=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C30H30O14/c31-10-22-25(38)26(39)27(40)30(43-22)42-21-9-20-14(7-19(36)28(41-20)12-2-4-16(33)18(35)6-12)29-24(21)13(8-23(37)44-29)11-1-3-15(32)17(34)5-11/h1-6,9,13,19,22,25-28,30-36,38-40H,7-8,10H2 VQTJQDXXZTXQEJ-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3,4-dihydrocoumarins 3-hydroxyflavonoids 4'-hydroxyflavonoids Acetals Alkyl aryl ethers Angular pyranocoumarins Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Catechins Catechols Coumarin glycosides Hexoses Hydrocarbon derivatives Lactones Linear diarylheptanoids Monocarboxylic acids and derivatives Neoflavans O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranochromenes Pyranoflavonoids Pyranoneoflavonoids Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3,4-dihydrocoumarin 3-hydroxyflavonoid 4'-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Angular pyranocoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechin Catechol Chromane Coumarin o-glycoside Coumarin-5-o-glycoside Ether Flavan Flavan-3-ol Flavonoid-7-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Lactone Linear 1,7-diphenylheptane skeleton Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Neoflavan Neoflavonoid skeleton O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyranochromene Pyranocoumarin Pyranoflavonoid Pyranoneoflavonoid Secondary alcohol logp 0.97 ALOGPS logs -3.18 ALOGPS solubility 4.03e-01 g/l ALOGPS logp 0.56 ChemAxon pka_strongest_acidic 8.94 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 6,12-bis(3,4-dihydroxyphenyl)-13-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one ChemAxon average_mass 614.5508 ChemAxon mono_mass 614.163555668 ChemAxon smiles OCC1OC(OC2=C3C(CC(=O)OC3=C3CC(O)C(OC3=C2)C2=CC(O)=C(O)C=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C30H30O14 ChemAxon inchi InChI=1S/C30H30O14/c31-10-22-25(38)26(39)27(40)30(43-22)42-21-9-20-14(7-19(36)28(41-20)12-2-4-16(33)18(35)6-12)29-24(21)13(8-23(37)44-29)11-1-3-15(32)17(34)5-11/h1-6,9,13,19,22,25-28,30-36,38-40H,7-8,10H2 ChemAxon inchikey VQTJQDXXZTXQEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 236.06 ChemAxon refractivity 147.17 ChemAxon polarizability 59.63 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10943 Specdb::CMs 531844 Specdb::CMs 531845 Specdb::CMs 531846 Specdb::CMs 531847 Specdb::CMs 531848 Specdb::CMs 531849 Specdb::CMs 531850 Specdb::CMs 531851 Specdb::CMs 531852 Specdb::CMs 531853 Specdb::CMs 531854 Specdb::CMs 531855 Specdb::CMs 531856 Specdb::CMs 531857 Specdb::CMs 531858 Specdb::CMs 531859 Specdb::CMs 531860 Specdb::CMs 531861 Specdb::CMs 531862 Specdb::CMs 531863 Specdb::CMs 531864 Specdb::CMs 531865 Specdb::CMs 531866 Specdb::CMs 531867 Specdb::MsMs 84297 Specdb::MsMs 84298 Specdb::MsMs 84299 Specdb::MsMs 146118 Specdb::MsMs 146119 Specdb::MsMs 146120 Specdb::MsMs 2693919 Specdb::MsMs 2693920 Specdb::MsMs 2693921 Specdb::MsMs 2985152 Specdb::MsMs 2985153 Specdb::MsMs 2985154 HMDB35435 #<Reference:0x000055ce306945e8> Fruits Unknown generic