1.0 2010-04-08 22:04:27 UTC 2025-11-18 22:16:11 UTC FDB000164 Kaempferol 3-O-glucosyl-rhamnosyl-galactoside Kaempferol 3-[glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside] is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-[glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside] is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-[glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside] can be found in tea, which makes kaempferol 3-[glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside] a potential biomarker for the consumption of this food product. C33H40O20 756.6587 756.21129372 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 136449-09-7 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1 MFIXKYXSBNIMPX-CHLFRWFTSA-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 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 Vinylogous acid logp -0.59 ALOGPS logs -1.93 ALOGPS solubility 8.88e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 756.6587 ChemAxon mono_mass 756.21129372 ChemAxon smiles C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O ChemAxon formula C33H40O20 ChemAxon inchi InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1 ChemAxon inchikey MFIXKYXSBNIMPX-CHLFRWFTSA-N ChemAxon polar_surface_area 324.44 ChemAxon refractivity 170.58 ChemAxon polarizability 71.34 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 20 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 780869 Specdb::CMs 780870 Specdb::CMs 780871 Specdb::CMs 780872 Specdb::CMs 780873 Specdb::CMs 780874 Specdb::CMs 780875 Specdb::CMs 780876 Specdb::CMs 780877 Specdb::CMs 780878 Specdb::CMs 780879 Specdb::CMs 780880 Specdb::CMs 780881 Specdb::CMs 780882 Specdb::CMs 780883 Specdb::CMs 780884 Specdb::CMs 780885 Specdb::CMs 780886 Specdb::CMs 780887 Specdb::CMs 780888 Specdb::CMs 780889 Specdb::CMs 780890 Specdb::CMs 780891 Specdb::CMs 780892 Specdb::NmrOneD 29242 Specdb::NmrOneD 29243 Specdb::NmrOneD 29244 Specdb::NmrOneD 29245 Specdb::NmrOneD 29246 Specdb::NmrOneD 29247 Specdb::NmrOneD 29248 Specdb::NmrOneD 29249 Specdb::NmrOneD 29250 Specdb::NmrOneD 29251 Specdb::NmrOneD 29252 Specdb::NmrOneD 29253 Specdb::NmrOneD 29254 Specdb::NmrOneD 29255 Specdb::NmrOneD 29256 Specdb::NmrOneD 29257 Specdb::NmrOneD 29258 Specdb::NmrOneD 29259 Specdb::NmrOneD 29260 Specdb::NmrOneD 29261 Specdb::MsMs 87576 Specdb::MsMs 87577 Specdb::MsMs 87578 Specdb::MsMs 150099 Specdb::MsMs 150100 Specdb::MsMs 150101 Specdb::MsMs 2464890 Specdb::MsMs 2464891 Specdb::MsMs 2464892 Specdb::MsMs 2501036 Specdb::MsMs 2501037 Specdb::MsMs 2501038 HMDB0038768 Black tea Type 1 0.140579 0.281157036 0.0 mg/100 g Green tea Type 1 0.140579 0.281157036 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 0.140579 0.281157036 0.0 mg/100 g