IUPAC 名称
7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-(2,3,4,5-tetrahydroxyoxan-2-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5(10),6,8,11(16),12,14,23(28),24,26,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone
描述
Grandinin 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. Grandinin is soluble (in water) and a very weakly acidic compound (based on its pKa). Grandinin can be found in guava, which makes grandinin a potential biomarker for the consumption of this food product. Grandinin is an ellagitannin. It can be found in Melaleuca quinquenervia leaves and in oaks species like the North American white oak (Quercus alba) and European red oak (Quercus robur). It shows antioxydant activity. It is an astringent compound. It is also found in wine, red or white, aged in oak barrels .
InChI标识符
InChI=1S/C46H34O30/c47-9-1-6-14(28(55)24(9)51)15-7(2-10(48)25(52)29(15)56)43(67)74-37-13(5-71-41(6)65)73-42(66)8-3-11(49)26(53)30(57)16(8)17-20-18(32(59)35(62)31(17)58)19-21-22(34(61)36(63)33(19)60)23(38(75-45(21)69)39(37)76-44(20)68)46(70)40(64)27(54)12(50)4-72-46/h1-3,12-13,23,27,37-40,47-64,70H,4-5H2