1.0 2010-04-08 22:12:51 UTC 2019-11-26 03:14:13 UTC FDB017113 Epicatechin 3-glucoside Isolated from Chinese cinnamon (Cinnamomum cassia) bark. Epicatechin 3-glucoside is found in chinese cinnamon and herbs and spices. Epicatechin 3-glucoside Epicatechin 3-O-beta-D-glucopyranoside C21H24O11 452.412 452.131861593 (2R,3R,4S,5R,6R)-2-{[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (2R,3R,4S,5R,6R)-2-{[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 103303-00-0 OCC1OC(OC2CC3=C(OC2C2=CC(O)=C(O)C=C2)C=C(O)C=C3O)C(O)C(O)C1O InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2 YOVYWMDLYSJYPO-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 logp 0.024 ChemAxon pka_strongest_acidic 9 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4S,5R,6R)-2-{[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 452.412 ChemAxon mono_mass 452.131861593 ChemAxon smiles OCC1OC(OC2CC3=C(OC2C2=CC(O)=C(O)C=C2)C=C(O)C=C3O)C(O)C(O)C1O ChemAxon formula C21H24O11 ChemAxon inchi InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2 ChemAxon inchikey YOVYWMDLYSJYPO-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 106.41 ChemAxon polarizability 42.05 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB37943 #<Reference:0x000055ce30e3da60> Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Herbs and Spices Unknown generic