1.0 2010-04-08 22:10:37 UTC 2025-11-18 23:42:52 UTC FDB013262 6-Hydroxykaempferol 7-alloside Constituent of the flowers of Tagetes erecta (African marigold) 3,4',5,6,7-Pentahydroxyflavone 7-O-b-D-allopyranoside 6-Hydroxykaempferol 7-alloside 7-(beta-D-Allopyranosyloxy)-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Galetin 7-O-b-D-allopyranoside C21H20O12 464.3763 464.095476104 3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 205496-87-3 OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2 IYEWEDZIDUAUTD-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavonols 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 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone 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 0.50 ALOGPS logs -2.33 ALOGPS solubility 2.16e+00 g/l ALOGPS logp -0.11 ChemAxon pka_strongest_acidic 8.06 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-{[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 OCC1OC(OC2=CC3=C(C(O)=C2O)C(=O)C(O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H20O12 ChemAxon inchi InChI=1S/C21H20O12/c22-6-11-14(25)17(28)19(30)21(33-11)32-10-5-9-12(15(26)13(10)24)16(27)18(29)20(31-9)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-26,28-30H,6H2 ChemAxon inchikey IYEWEDZIDUAUTD-UHFFFAOYSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 109.01 ChemAxon polarizability 43.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19467 Specdb::CMs 44022 Specdb::CMs 151611 Specdb::CMs 158326 Specdb::CMs 280219 Specdb::NmrOneD 127378 Specdb::NmrOneD 127379 Specdb::NmrOneD 127380 Specdb::NmrOneD 127381 Specdb::NmrOneD 127382 Specdb::NmrOneD 127383 Specdb::NmrOneD 127384 Specdb::NmrOneD 127385 Specdb::NmrOneD 127386 Specdb::NmrOneD 127387 Specdb::NmrOneD 127388 Specdb::NmrOneD 127389 Specdb::NmrOneD 127390 Specdb::NmrOneD 127391 Specdb::NmrOneD 127392 Specdb::NmrOneD 127393 Specdb::NmrOneD 127394 Specdb::NmrOneD 127395 Specdb::NmrOneD 127396 Specdb::NmrOneD 127397 Specdb::MsMs 66768 Specdb::MsMs 66769 Specdb::MsMs 66770 Specdb::MsMs 124407 Specdb::MsMs 124408 Specdb::MsMs 124409 Specdb::MsMs 2298486 Specdb::MsMs 2298487 Specdb::MsMs 2298488 Specdb::MsMs 2637277 Specdb::MsMs 2637278 Specdb::MsMs 2637279 HMDB0034725