1.0 2010-04-08 22:14:54 UTC 2019-11-26 03:18:40 UTC FDB020246 Azaleatin 3-glucoside Isolated from apples and pecan nuts. Azaleatin 3-glucoside is found in pomes and nuts. 3,3',4',7-Tetrahydroxy-5-methoxyflavone 3-O-b-D-glucopyranoside Azaleatin 3-glucoside Azaleatin 3-O-b-D-glucopyranoside C22H22O12 478.4029 478.111126168 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 23598-17-6 COC1=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C22H22O12/c1-31-12-5-9(24)6-13-15(12)17(28)21(20(32-13)8-2-3-10(25)11(26)4-8)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3 HJOBXPHWOUTSLV-UHFFFAOYSA-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 melting_point Mp 195-196° logp -0.65 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 478.4029 ChemAxon mono_mass 478.111126168 ChemAxon smiles COC1=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C22H22O12 ChemAxon inchi InChI=1S/C22H22O12/c1-31-12-5-9(24)6-13-15(12)17(28)21(20(32-13)8-2-3-10(25)11(26)4-8)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3 ChemAxon inchikey HJOBXPHWOUTSLV-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 113.76 ChemAxon polarizability 45.07 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB37360 #<Reference:0x000055ce32c19548> Nuts Unknown generic Pomes Unknown generic