1.0 2010-04-08 22:12:30 UTC 2019-11-26 03:13:25 UTC FDB016541 Carthamidin 5-glucoside Constituent of the flowers of Carthamus tinctorius (safflower). Carthamidin 5-glucoside is found in safflower, fats and oils, and herbs and spices. (S)-4',5,6,7-tetrahydroxyflavanone 5-glucoside (S)-4',5,6,7-tetrahydroxyflavanone 5-O-b-D-glucopyranoside (S)-Carthamidin 5-glucoside Isocarthamin Neocarthamin C21H22O11 450.3928 450.116211546 6,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one 6,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one 519-39-1 OCC1OC(OC2=C(O)C(O)=CC3=C2C(=O)CC(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2 UBFTZAGDGOMJQE-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 6-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Flavonoid o-glycoside Flavonoid-5-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp 0.04 ALOGPS logs -2.26 ALOGPS solubility 2.50e+00 g/l ALOGPS melting_point Mp 228° logp -0.39 ChemAxon pka_strongest_acidic 7.97 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 450.3928 ChemAxon mono_mass 450.116211546 ChemAxon smiles OCC1OC(OC2=C(O)C(O)=CC3=C2C(=O)CC(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H22O11 ChemAxon inchi InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2 ChemAxon inchikey UBFTZAGDGOMJQE-UHFFFAOYSA-N ChemAxon polar_surface_area 186.37 ChemAxon refractivity 105.42 ChemAxon polarizability 43.72 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22498 Specdb::CMs 45409 Specdb::CMs 156387 Specdb::CMs 173126 Specdb::CMs 280102 Specdb::NmrOneD 141290 Specdb::NmrOneD 141291 Specdb::NmrOneD 141292 Specdb::NmrOneD 141293 Specdb::NmrOneD 141294 Specdb::NmrOneD 141295 Specdb::NmrOneD 141296 Specdb::NmrOneD 141297 Specdb::NmrOneD 141298 Specdb::NmrOneD 141299 Specdb::NmrOneD 141300 Specdb::NmrOneD 141301 Specdb::NmrOneD 141302 Specdb::NmrOneD 141303 Specdb::NmrOneD 141304 Specdb::NmrOneD 141305 Specdb::NmrOneD 141306 Specdb::NmrOneD 141307 Specdb::NmrOneD 141308 Specdb::NmrOneD 141309 Specdb::MsMs 80577 Specdb::MsMs 80578 Specdb::MsMs 80579 Specdb::MsMs 141483 Specdb::MsMs 141484 Specdb::MsMs 141485 Specdb::MsMs 2418765 Specdb::MsMs 2418766 Specdb::MsMs 2418767 Specdb::MsMs 2543846 Specdb::MsMs 2543847 Specdb::MsMs 2543848 HMDB37476 #<Reference:0x000055ce300f7950> Fats and oils Unknown generic Herbs and Spices Unknown generic Safflower Type 1 specific Carthamus tinctorius 4222