1.0 2010-04-08 22:12:18 UTC 2025-11-19 01:45:24 UTC FDB016213 Kaempferol 3-(glucosyl-(1->2)-galactoside) 7-glucoside Constituent of Trigonella foenum-graecum (fenugreek). Kaempferol 3-(glucosyl-(1->2)-galactoside) 7-glucoside is found in herbs and spices. Kaempferol 3-(glucopyranosyl-(1->2)-galactoside) 7-glucoside Kaempferol 3-O-[b-D-glucopyranosyl-(1->2)-b-D-galactopyranoside] 7-O-glucopyranoside Populnin 3-O-[b-D-glucosyl-(1->2)-b-D-galactopyranoside] C33H40O21 772.6581 772.206208342 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 520-18-3 OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2 MBFNAZBJKVFNKZ-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 Disaccharides Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds 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 Disaccharide Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety 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 -0.96 ALOGPS logs -1.78 ALOGPS solubility 1.27e+01 g/l ALOGPS melting_point Mp 220-222° logp -3.9 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 772.6581 ChemAxon mono_mass 772.206208342 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C33H40O21 ChemAxon inchi InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2 ChemAxon inchikey MBFNAZBJKVFNKZ-UHFFFAOYSA-N ChemAxon polar_surface_area 344.67 ChemAxon refractivity 171.85 ChemAxon polarizability 73.33 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8480 Specdb::MsMs 8481 Specdb::MsMs 8482 Specdb::MsMs 15152 Specdb::MsMs 15153 Specdb::MsMs 15154 Specdb::MsMs 2394922 Specdb::MsMs 2394923 Specdb::MsMs 2394924 Specdb::MsMs 2540321 Specdb::MsMs 2540322 Specdb::MsMs 2540323 Specdb::NmrOneD 139570 Specdb::NmrOneD 139571 Specdb::NmrOneD 139572 Specdb::NmrOneD 139573 Specdb::NmrOneD 139574 Specdb::NmrOneD 139575 Specdb::NmrOneD 139576 Specdb::NmrOneD 139577 Specdb::NmrOneD 139578 Specdb::NmrOneD 139579 Specdb::NmrOneD 139580 Specdb::NmrOneD 139581 Specdb::NmrOneD 139582 Specdb::NmrOneD 139583 Specdb::NmrOneD 139584 Specdb::NmrOneD 139585 Specdb::NmrOneD 139586 Specdb::NmrOneD 139587 Specdb::NmrOneD 139588 Specdb::NmrOneD 139589 Specdb::CMs 783667 Specdb::CMs 783668 Specdb::CMs 783669 Specdb::CMs 783670 Specdb::CMs 783671 Specdb::CMs 783672 Specdb::CMs 783673 Specdb::CMs 783674 Specdb::CMs 783675 Specdb::CMs 783676 Specdb::CMs 783677 Specdb::CMs 783678 Specdb::CMs 783679 Specdb::CMs 783680 Specdb::CMs 783681 Specdb::CMs 783682 Specdb::CMs 783683 Specdb::CMs 783684 Specdb::CMs 783685 Specdb::CMs 783686 Specdb::CMs 783687 Specdb::CMs 783688 Specdb::CMs 783689 Specdb::CMs 783690 Specdb::CMs 783691 HMDB0037207 Herbs and Spices Unknown generic