1.0 2010-04-08 22:13:20 UTC 2025-11-19 02:04:03 UTC FDB017831 Cynarotrioside Isolated from Cynara scolymus (artichoke). Cynarotrioside is found in globe artichoke and green vegetables. Cynarotrioside Luteolin 4'-glucoside 7-rutinoside Luteolin 7-rutinoside-4'-glucoside C33H40O20 756.6587 756.21129372 5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 20056-21-7 CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H40O20/c1-10-22(38)25(41)28(44)31(48-10)47-9-20-24(40)27(43)29(45)32(53-20)49-12-5-14(36)21-15(37)7-17(50-18(21)6-12)11-2-3-16(13(35)4-11)51-33-30(46)26(42)23(39)19(8-34)52-33/h2-7,10,19-20,22-36,38-46H,8-9H2,1H3 GTKBXDKMEHYUSU-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 3'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Flavone 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 Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.75 ALOGPS logs -2.22 ALOGPS solubility 4.61e+00 g/l ALOGPS melting_point Mp 274-276° logp -2.9 ChemAxon pka_strongest_acidic 8.46 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 756.6587 ChemAxon mono_mass 756.21129372 ChemAxon smiles CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H40O20 ChemAxon inchi InChI=1S/C33H40O20/c1-10-22(38)25(41)28(44)31(48-10)47-9-20-24(40)27(43)29(45)32(53-20)49-12-5-14(36)21-15(37)7-17(50-18(21)6-12)11-2-3-16(13(35)4-11)51-33-30(46)26(42)23(39)19(8-34)52-33/h2-7,10,19-20,22-36,38-46H,8-9H2,1H3 ChemAxon inchikey GTKBXDKMEHYUSU-UHFFFAOYSA-N ChemAxon polar_surface_area 324.44 ChemAxon refractivity 170.05 ChemAxon polarizability 73.14 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 20 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51759 Specdb::MsMs 51760 Specdb::MsMs 51761 Specdb::MsMs 152823 Specdb::MsMs 152824 Specdb::MsMs 152825 Specdb::MsMs 2325990 Specdb::MsMs 2325991 Specdb::MsMs 2325992 Specdb::MsMs 2612734 Specdb::MsMs 2612735 Specdb::MsMs 2612736 Specdb::NmrOneD 26802 Specdb::NmrOneD 26803 Specdb::NmrOneD 26804 Specdb::NmrOneD 26805 Specdb::NmrOneD 26806 Specdb::NmrOneD 26807 Specdb::NmrOneD 26808 Specdb::NmrOneD 26809 Specdb::NmrOneD 26810 Specdb::NmrOneD 26811 Specdb::NmrOneD 26812 Specdb::NmrOneD 26813 Specdb::NmrOneD 26814 Specdb::NmrOneD 26815 Specdb::NmrOneD 26816 Specdb::NmrOneD 26817 Specdb::NmrOneD 26818 Specdb::NmrOneD 26819 Specdb::NmrOneD 26820 Specdb::NmrOneD 26821 Specdb::CMs 780845 Specdb::CMs 780846 Specdb::CMs 780847 Specdb::CMs 780848 Specdb::CMs 780849 Specdb::CMs 780850 Specdb::CMs 780851 Specdb::CMs 780852 Specdb::CMs 780853 Specdb::CMs 780854 Specdb::CMs 780855 Specdb::CMs 780856 Specdb::CMs 780857 Specdb::CMs 780858 Specdb::CMs 780859 Specdb::CMs 780860 Specdb::CMs 780861 Specdb::CMs 780862 Specdb::CMs 780863 Specdb::CMs 780864 Specdb::CMs 780865 Specdb::CMs 780866 Specdb::CMs 780867 Specdb::CMs 780868 HMDB38470 #<Reference:0x000055ce322298f8> Globe artichoke Type 1 specific Cynara scolymus 59895 Green vegetables Unknown generic