1.0 2010-04-08 22:14:20 UTC 2025-11-19 02:19:27 UTC FDB019407 Kaempferol 3-(2G-apiosylrobinobioside) Constituent of seeds of quinoa (Chenopodium quinoa). Kaempferol 3-(2G-apiosylrobinobioside) is found in cereals and cereal products and quinoa. Kaempferol 3-(2G-apiosylrobinobioside) Kaempferol 3-(2Gal-apiosylrobinobioside) Kargp C32H38O19 726.6327 726.200729034 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 132185-73-0 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3 PXDYLXHBUIPSMK-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols Tetrahydrofurans Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol Tetrahydrofuran Vinylogous acid logp -0.43 ALOGPS logs -2.10 ALOGPS solubility 5.77e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 726.6327 ChemAxon mono_mass 726.200729034 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C32H38O19 ChemAxon inchi InChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3 ChemAxon inchikey PXDYLXHBUIPSMK-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 164.83 ChemAxon polarizability 69.48 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 764176 Specdb::CMs 764177 Specdb::CMs 764178 Specdb::CMs 764179 Specdb::CMs 764180 Specdb::CMs 764181 Specdb::CMs 764182 Specdb::CMs 764183 Specdb::CMs 764184 Specdb::CMs 764185 Specdb::CMs 764186 Specdb::CMs 764187 Specdb::CMs 764188 Specdb::CMs 764189 Specdb::CMs 764190 Specdb::CMs 764191 Specdb::CMs 764192 Specdb::CMs 764193 Specdb::CMs 764194 Specdb::CMs 764195 Specdb::CMs 764196 Specdb::CMs 764197 Specdb::CMs 764198 Specdb::CMs 764199 Specdb::CMs 764200 Specdb::MsMs 69015 Specdb::MsMs 69016 Specdb::MsMs 69017 Specdb::MsMs 127194 Specdb::MsMs 127195 Specdb::MsMs 127196 Specdb::MsMs 2299221 Specdb::MsMs 2299222 Specdb::MsMs 2299223 Specdb::MsMs 2639722 Specdb::MsMs 2639723 Specdb::MsMs 2639724 Specdb::NmrOneD 35822 Specdb::NmrOneD 35823 Specdb::NmrOneD 35824 Specdb::NmrOneD 35825 Specdb::NmrOneD 35826 Specdb::NmrOneD 35827 Specdb::NmrOneD 35828 Specdb::NmrOneD 35829 Specdb::NmrOneD 35830 Specdb::NmrOneD 35831 Specdb::NmrOneD 35832 Specdb::NmrOneD 35833 Specdb::NmrOneD 35834 Specdb::NmrOneD 35835 Specdb::NmrOneD 35836 Specdb::NmrOneD 35837 Specdb::NmrOneD 35838 Specdb::NmrOneD 35839 Specdb::NmrOneD 35840 Specdb::NmrOneD 35841 HMDB39759 #<Reference:0x000055ce3208ff88> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Quinoa Type 1 specific Chenopodium quinoa 63459