1.0 2010-04-08 22:12:28 UTC 2025-11-19 01:47:23 UTC FDB016483 Kaempferol 3-(2''-rhamnosylrutinoside) Isolated from hop flowers Humulus lupulus. Kaempferol 3-(2''-rhamnosylrutinoside) is found in alcoholic beverages and herbs and spices. Kaempferol 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside C33H40O19 740.6593 740.216379098 3-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-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-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 32602-83-8 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)52-30-25(43)20(38)11(2)48-33(30)46-9-17-21(39)24(42)27(45)32(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3 WQRYALSJYYLFRY-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 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 Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.12 ALOGPS logs -2.05 ALOGPS solubility 6.58e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-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 740.6593 ChemAxon mono_mass 740.216379098 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O ChemAxon formula C33H40O19 ChemAxon inchi InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)52-30-25(43)20(38)11(2)48-33(30)46-9-17-21(39)24(42)27(45)32(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3 ChemAxon inchikey WQRYALSJYYLFRY-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 169.03 ChemAxon polarizability 71.08 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73542 Specdb::MsMs 73543 Specdb::MsMs 73544 Specdb::MsMs 132744 Specdb::MsMs 132745 Specdb::MsMs 132746 Specdb::MsMs 2428246 Specdb::MsMs 2428247 Specdb::MsMs 2428248 Specdb::MsMs 2506532 Specdb::MsMs 2506533 Specdb::MsMs 2506534 Specdb::CMs 769595 Specdb::CMs 769596 Specdb::CMs 769597 Specdb::CMs 769598 Specdb::CMs 769599 Specdb::CMs 769600 Specdb::CMs 769601 Specdb::CMs 769602 Specdb::CMs 769603 Specdb::CMs 769604 Specdb::CMs 769605 Specdb::CMs 769606 Specdb::CMs 769607 Specdb::CMs 769608 Specdb::CMs 769609 Specdb::CMs 769610 Specdb::CMs 769611 Specdb::CMs 769612 Specdb::CMs 769613 Specdb::CMs 769614 Specdb::CMs 769615 Specdb::CMs 769616 Specdb::CMs 769617 Specdb::CMs 769618 Specdb::CMs 769619 Specdb::NmrOneD 140870 Specdb::NmrOneD 140871 Specdb::NmrOneD 140872 Specdb::NmrOneD 140873 Specdb::NmrOneD 140874 Specdb::NmrOneD 140875 Specdb::NmrOneD 140876 Specdb::NmrOneD 140877 Specdb::NmrOneD 140878 Specdb::NmrOneD 140879 Specdb::NmrOneD 140880 Specdb::NmrOneD 140881 Specdb::NmrOneD 140882 Specdb::NmrOneD 140883 Specdb::NmrOneD 140884 Specdb::NmrOneD 140885 Specdb::NmrOneD 140886 Specdb::NmrOneD 140887 Specdb::NmrOneD 140888 Specdb::NmrOneD 140889 HMDB37432 #<Reference:0x000055ce31c88340> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic