FoodTCM

ellagic acid acetyl-xyloside

Name(s)	ellagic acid acetyl-xyloside
Scientific name(s)	ellagic acid-4-acetylxyloside
Formula	C21H16O13
Molecular mass	476.346
IUPAC name	[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]oxan-3-yl] acetate; (3r,4r,5r,6s)-4,5-dihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxan-3-yl acetate
INCHI	InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14+,16-,21+/m1/s1
SMILE	[H][C@]1(CO[C@@]([H])(OC2=CC3=C4C(OC(=O)C5=CC(O)=C(O)C(OC3=O)=C45)=C2O)[C@]([H])(O)[C@@]1([H])O)OC(C)=O
CAS ID	476-66-4
PubChem ID	101757027
DrugBank ID	Not available
CHEBI ID	Not available

Description	Ellagic acid acetyl-xyloside is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Ellagic acid acetyl-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ellagic acid acetyl-xyloside can be found in red raspberry, which makes ellagic acid acetyl-xyloside a potential biomarker for the consumption of this food product.

Description

Ellagic acid acetyl-xyloside is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Ellagic acid acetyl-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ellagic acid acetyl-xyloside can be found in red raspberry, which makes ellagic acid acetyl-xyloside a potential biomarker for the consumption of this food product.