1.0 2010-04-08 22:12:25 UTC 2025-11-19 01:46:52 UTC FDB016407 Feruloyl isoquercitrin 4'-glucoside Isolated from Crambe tatarica (tartar bread plant). Feruloyl isoquercitrin 4'-glucoside is found in green vegetables and root vegetables. (4-Hydroxy-3-methoxycinnamoyl)isoquercitrin 4'-O-b-D-glucopyranoside Feruloyl isoquercitrin 4'-glucoside Feruloyl isoquercitrin 4'-O-b-D-glucopyranoside C21H20O12 464.3763 464.095476104 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one isoquercitin 87338-63-4 OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-QSOFNFLRSA-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 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-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 Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid Flavones and Flavonols beta-D-glucoside flavonols monosaccharide derivative quercetin O-glucoside tetrahydroxyflavone logp 0.47 ALOGPS logs -2.38 ALOGPS solubility 1.95e+00 g/l ALOGPS logp -0.14 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 464.3763 ChemAxon mono_mass 464.095476104 ChemAxon smiles OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C21H20O12 ChemAxon inchi InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 ChemAxon inchikey OVSQVDMCBVZWGM-QSOFNFLRSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 109.28 ChemAxon polarizability 43.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17984 Specdb::CMs 45344 Specdb::CMs 133143 Specdb::CMs 140877 Specdb::NmrOneD 140310 Specdb::NmrOneD 140311 Specdb::NmrOneD 140312 Specdb::NmrOneD 140313 Specdb::NmrOneD 140314 Specdb::NmrOneD 140315 Specdb::NmrOneD 140316 Specdb::NmrOneD 140317 Specdb::NmrOneD 140318 Specdb::NmrOneD 140319 Specdb::NmrOneD 140320 Specdb::NmrOneD 140321 Specdb::NmrOneD 140322 Specdb::NmrOneD 140323 Specdb::NmrOneD 140324 Specdb::NmrOneD 140325 Specdb::NmrOneD 140326 Specdb::NmrOneD 140327 Specdb::NmrOneD 140328 Specdb::NmrOneD 140329 Specdb::MsMs 64737 Specdb::MsMs 64738 Specdb::MsMs 64739 Specdb::MsMs 121977 Specdb::MsMs 121978 Specdb::MsMs 121979 Specdb::MsMs 374379 Specdb::MsMs 436970 Specdb::MsMs 436971 Specdb::MsMs 436972 Specdb::MsMs 436973 Specdb::MsMs 436974 Specdb::MsMs 438974 Specdb::MsMs 438975 Specdb::MsMs 438976 Specdb::MsMs 438977 Specdb::MsMs 439148 Specdb::MsMs 440558 Specdb::MsMs 444979 Specdb::MsMs 444980 Specdb::MsMs 444981 Specdb::MsMs 444982 Specdb::MsMs 444983 Specdb::MsMs 447871 Specdb::MsMs 447872 HMDB0037362 Apple Type 1 specific Malus pumila 283210 Black tea Type 1 Blackberry Type 1 specific Rubus Broccoli Type 1 specific Brassica oleracea var. italica 36774 Fruit juice Type 2 specific Green vegetables Unknown generic Lettuce Type 1 specific Lactuca sativa 4236 Root vegetables Unknown generic