1.0 2010-04-08 22:14:53 UTC 2025-11-19 02:29:00 UTC FDB020236 6-Hydroxykaempferol 3,6,7-triglucoside 6-hydroxykaempferol 3,6,7-triglucoside 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. 6-hydroxykaempferol 3,6,7-triglucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxykaempferol 3,6,7-triglucoside can be found in safflower, which makes 6-hydroxykaempferol 3,6,7-triglucoside a potential biomarker for the consumption of this food product. 3,4',5,6,7-Pentahydroxyflavone 3,6,7-tri-O-b-D-glucopyranoside 3,4',5,6,7-Pentahydroxyflavone 3,6,7-tri-O-glucoside 6-Hydroxykaempferol 3,6,7-triglucoside C33H40O22 788.6575 788.201122964 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one 145134-62-9 OCC1OC(OC2=CC3=C(C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2 ZYJKKAOXNQVUMQ-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds 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 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -1.19 ALOGPS logs -1.65 ALOGPS solubility 1.78e+01 g/l ALOGPS melting_point Mp 202-205° logp -4.7 ChemAxon pka_strongest_acidic 8.33 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one ChemAxon average_mass 788.6575 ChemAxon mono_mass 788.201122964 ChemAxon smiles OCC1OC(OC2=CC3=C(C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C33H40O22 ChemAxon inchi InChI=1S/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2 ChemAxon inchikey ZYJKKAOXNQVUMQ-UHFFFAOYSA-N ChemAxon polar_surface_area 364.9 ChemAxon refractivity 173.56 ChemAxon polarizability 74.28 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1310095 Specdb::MsMs 1310096 Specdb::MsMs 1310097 Specdb::MsMs 1424593 Specdb::MsMs 1424594 Specdb::MsMs 1424595 Specdb::MsMs 3606520 Specdb::MsMs 3606521 Specdb::MsMs 3606522 Specdb::MsMs 3606523 Specdb::MsMs 3606524 Specdb::MsMs 3606525 Safflower Type 1 specific Carthamus tinctorius 4222