1.0 2010-04-08 22:05:04 UTC 2025-11-18 22:32:30 UTC FDB001680 Kaempferol 7-(3G-glucosylgentiobioside) Kaempferol 7-(3g-glucosylgentiobioside) is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Thus, kaempferol 7-(3g-glucosylgentiobioside) is considered to be a flavonoid lipid molecule. Kaempferol 7-(3g-glucosylgentiobioside) is soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 7-(3g-glucosylgentiobioside) can be found in chinese mustard, which makes kaempferol 7-(3g-glucosylgentiobioside) a potential biomarker for the consumption of this food product. C33H40O21 772.662 772.206208308 7-{[(2S,4S,5R)-3,5-dihydroxy-4-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 7-{[(2S,4S,5R)-3,5-dihydroxy-4-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 557102-62-2 [H]C1(CO)O[C@@]([H])(OCC2([H])O[C@@]([H])(OC3=CC(O)=C4C(=O)C(O)=C(OC4=C3)C3=CC=C(O)C=C3)C([H])(O)[C@@]([H])(O[C@]3([H])OC([H])(CO)[C@@]([H])(O)[C@]([H])(O)C3([H])O)[C@]2([H])O)C([H])(O)[C@@]([H])(O)[C@]1([H])O InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)30(54-32-27(46)24(43)20(39)16(8-35)52-32)28(47)33(53-17)49-12-5-13(37)18-14(6-12)50-29(25(44)22(18)41)10-1-3-11(36)4-2-10/h1-6,15-17,19-21,23-24,26-28,30-40,42-47H,7-9H2/t15?,16?,17?,19-,20-,21-,23+,24+,26?,27?,28?,30+,31-,32+,33-/m1/s1 UOYDGTLOICLFRN-NBWFVKCCSA-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavonols Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-7-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 Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid Flavones and Flavonols logp -0.92 ALOGPS logs -1.82 ALOGPS solubility 1.16e+01 g/l ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 7.08 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 7-{[(2S,4S,5R)-3,5-dihydroxy-4-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 772.662 ChemAxon mono_mass 772.206208308 ChemAxon smiles [H]C1(CO)O[C@@]([H])(OCC2([H])O[C@@]([H])(OC3=CC(O)=C4C(=O)C(O)=C(OC4=C3)C3=CC=C(O)C=C3)C([H])(O)[C@@]([H])(O[C@]3([H])OC([H])(CO)[C@@]([H])(O)[C@]([H])(O)C3([H])O)[C@]2([H])O)C([H])(O)[C@@]([H])(O)[C@]1([H])O ChemAxon formula C33H40O21 ChemAxon inchi InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-9-17-21(40)30(54-32-27(46)24(43)20(39)16(8-35)52-32)28(47)33(53-17)49-12-5-13(37)18-14(6-12)50-29(25(44)22(18)41)10-1-3-11(36)4-2-10/h1-6,15-17,19-21,23-24,26-28,30-40,42-47H,7-9H2/t15?,16?,17?,19-,20-,21-,23+,24+,26?,27?,28?,30+,31-,32+,33-/m1/s1 ChemAxon inchikey UOYDGTLOICLFRN-NBWFVKCCSA-N ChemAxon polar_surface_area 344.67 ChemAxon refractivity 171.85 ChemAxon polarizability 73.7 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 70059 Specdb::MsMs 70060 Specdb::MsMs 70061 Specdb::MsMs 128493 Specdb::MsMs 128494 Specdb::MsMs 128495 Specdb::MsMs 3598067 Specdb::MsMs 3598068 Specdb::MsMs 3598069 Specdb::MsMs 3598070 Specdb::MsMs 3598071 Specdb::MsMs 3598072 Chinese mustard Type 1 specific Brassica juncea 3707