1.0 2010-04-08 22:12:42 UTC 2019-11-26 03:13:55 UTC FDB016892 4',8-Dimethylgossypetin 3-glucoside Isolated from Citrus subspecies 4',8-Dimethylgossypetin 3-glucoside is found in citrus. 3,3',5,7-Tetrahydroxy-4',8-dimethoxyflavone 3-O-b-D-glucoside 4',8-Dimethylgossypetin 3-glucoside 4',8-Dimethylgossypetin 3-O-b-D-glucoside C23H24O13 508.4289 508.121690854 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 90456-57-8 COC1=C(O)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O InChI=1S/C23H24O13/c1-32-12-4-3-8(5-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3 QVSFLYHKWZYAHR-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-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 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid 8-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.70 ALOGPS logs -2.60 ALOGPS solubility 1.28e+00 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 6.96 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 508.4289 ChemAxon mono_mass 508.121690854 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O ChemAxon formula C23H24O13 ChemAxon inchi InChI=1S/C23H24O13/c1-32-12-4-3-8(5-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3 ChemAxon inchikey QVSFLYHKWZYAHR-UHFFFAOYSA-N ChemAxon polar_surface_area 204.83 ChemAxon refractivity 120.22 ChemAxon polarizability 48.29 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23269 Specdb::CMs 45531 Specdb::MsMs 55623 Specdb::MsMs 55624 Specdb::MsMs 55625 Specdb::MsMs 110814 Specdb::MsMs 110815 Specdb::MsMs 110816 Specdb::MsMs 2316239 Specdb::MsMs 2316240 Specdb::MsMs 2316241 Specdb::MsMs 2623175 Specdb::MsMs 2623176 Specdb::MsMs 2623177 Specdb::NmrOneD 22862 Specdb::NmrOneD 22863 Specdb::NmrOneD 22864 Specdb::NmrOneD 22865 Specdb::NmrOneD 22866 Specdb::NmrOneD 22867 Specdb::NmrOneD 22868 Specdb::NmrOneD 22869 Specdb::NmrOneD 22870 Specdb::NmrOneD 22871 Specdb::NmrOneD 22872 Specdb::NmrOneD 22873 Specdb::NmrOneD 22874 Specdb::NmrOneD 22875 Specdb::NmrOneD 22876 Specdb::NmrOneD 22877 Specdb::NmrOneD 22878 Specdb::NmrOneD 22879 Specdb::NmrOneD 22880 Specdb::NmrOneD 22881 HMDB37753 #<Reference:0x000055ce3215c178> Citrus Unknown generic