1.0 2010-04-08 22:14:27 UTC 2019-11-26 03:17:39 UTC FDB019586 6-Hydroxykaempferol 6,7-diglucoside Constituent of the flowers of Carthamus tinctorius (safflower). 6-Hydroxykaempferol 6,7-diglucoside is found in fats and oils and herbs and spices. 3,4',5,6,7-Pentahydroxyflavone 6,7-di-O-b-D-glucopyranoside 6-Hydroxykaempferol 6,7-di-glucoside 6-Hydroxykaempferol 6,7-di-O-b-D-glucopyranoside 6-Hydroxykaempferol 6,7-di-O-b-D-glucoside C27H30O17 626.5169 626.148299534 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one 4324-55-4 OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O17/c28-6-12-15(31)19(35)22(38)26(42-12)41-11-5-10-14(17(33)21(37)24(40-10)8-1-3-9(30)4-2-8)18(34)25(11)44-27-23(39)20(36)16(32)13(7-29)43-27/h1-5,12-13,15-16,19-20,22-23,26-32,34-39H,6-7H2 GPJHFDIXJWVQRA-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 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 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 -0.87 ALOGPS logs -1.99 ALOGPS solubility 6.37e+00 g/l ALOGPS melting_point Mp 187° dec. logp -2.4 ChemAxon pka_strongest_acidic 8.15 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,5-dihydroxy-2-(4-hydroxyphenyl)-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one ChemAxon average_mass 626.5169 ChemAxon mono_mass 626.148299534 ChemAxon smiles OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O17 ChemAxon inchi InChI=1S/C27H30O17/c28-6-12-15(31)19(35)22(38)26(42-12)41-11-5-10-14(17(33)21(37)24(40-10)8-1-3-9(30)4-2-8)18(34)25(11)44-27-23(39)20(36)16(32)13(7-29)43-27/h1-5,12-13,15-16,19-20,22-23,26-32,34-39H,6-7H2 ChemAxon inchikey GPJHFDIXJWVQRA-UHFFFAOYSA-N ChemAxon polar_surface_area 285.75 ChemAxon refractivity 141.15 ChemAxon polarizability 59.89 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 36922 Specdb::NmrOneD 36923 Specdb::NmrOneD 36924 Specdb::NmrOneD 36925 Specdb::NmrOneD 36926 Specdb::NmrOneD 36927 Specdb::NmrOneD 36928 Specdb::NmrOneD 36929 Specdb::NmrOneD 36930 Specdb::NmrOneD 36931 Specdb::NmrOneD 36932 Specdb::NmrOneD 36933 Specdb::NmrOneD 36934 Specdb::NmrOneD 36935 Specdb::NmrOneD 36936 Specdb::NmrOneD 36937 Specdb::NmrOneD 36938 Specdb::NmrOneD 36939 Specdb::NmrOneD 36940 Specdb::NmrOneD 36941 Specdb::CMs 568409 Specdb::CMs 568410 Specdb::CMs 568411 Specdb::CMs 568412 Specdb::CMs 568413 Specdb::CMs 568414 Specdb::CMs 568415 Specdb::CMs 568416 Specdb::CMs 568417 Specdb::CMs 568418 Specdb::CMs 568419 Specdb::CMs 568420 Specdb::CMs 568421 Specdb::CMs 568422 Specdb::CMs 568423 Specdb::CMs 568424 Specdb::CMs 568425 Specdb::CMs 568426 Specdb::CMs 568427 Specdb::CMs 568428 Specdb::CMs 568429 Specdb::CMs 568430 Specdb::CMs 568431 Specdb::CMs 568432 Specdb::CMs 568433 Specdb::MsMs 69480 Specdb::MsMs 69481 Specdb::MsMs 69482 Specdb::MsMs 127773 Specdb::MsMs 127774 Specdb::MsMs 127775 Specdb::MsMs 2375096 Specdb::MsMs 2375097 Specdb::MsMs 2375098 Specdb::MsMs 2561064 Specdb::MsMs 2561065 Specdb::MsMs 2561066 HMDB39924 #<Reference:0x000055ce31625318> Fats and oils Unknown generic Herbs and Spices Unknown generic