1.0 2010-04-08 22:04:38 UTC 2019-11-26 02:55:04 UTC FDB000609 Isorhamnetin 3-rutinoside Isorhamnetin 3-rutinoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Isorhamnetin 3-rutinoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-rutinoside can be found in common bean, ginkgo nuts, sea-buckthornberry, and swede, which makes isorhamnetin 3-rutinoside a potential biomarker for the consumption of these food products. Isorhamnetin 3-O-rutinoside Isorhamnetin 3-rhamnoglucoside Isorhamnetin 3-rutinoside Isorhamnetin-3-O-rutinoside Narcissin? Narcissoside C28H32O16 624.5441 624.169034976 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-({[(2R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-({[(2R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one 604-80-8 COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 UIDGLYUNOUKLBM-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 180-182° logp -0.72 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-({[(2R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 624.5441 ChemAxon mono_mass 624.169034976 ChemAxon smiles COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C28H32O16 ChemAxon inchi InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 ChemAxon inchikey UIDGLYUNOUKLBM-UHFFFAOYSA-N ChemAxon polar_surface_area 254.52 ChemAxon refractivity 144.63 ChemAxon polarizability 59.41 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Asian pear Type 1 specific Pyrus pyrifolia 3767 Common bean Type 1 specific Phaseolus vulgaris 3885 Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Pear Type 1 specific Pyrus communis 23211 Sea-buckthornberry Type 1 specific Hippophae rhamnoides 193516 18.150001 18.150000572 18.150000572 mg/100 g Swede Type 1 specific Brassica napus 3708