IUPAC 名称
3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2(7),3,5,20,22-hexaen-13-yl 2-{[3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2(7),3,5,20,22-hexaen-21-yl]oxy}-3,4,5-trihydroxybenzoate
描述
Rugosin e 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. Rugosin e is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Rugosin e can be found in cloves, which makes rugosin e a potential biomarker for the consumption of this food product.
InChI标识符
InChI=1S/C75H54O48/c76-25-1-16(2-26(77)44(25)88)65(102)119-61-59-38(115-74(111)63(61)121-67(104)18-5-29(80)46(90)30(81)6-18)14-112-70(107)23-13-37(52(96)56(100)43(23)42-22(71(108)117-59)11-35(86)50(94)55(42)99)114-58-24(12-36(87)51(95)57(58)101)73(110)123-75-64(122-68(105)19-7-31(82)47(91)32(83)8-19)62(120-66(103)17-3-27(78)45(89)28(79)4-17)60-39(116-75)15-113-69(106)20-9-33(84)48(92)53(97)40(20)41-21(72(109)118-60)10-34(85)49(93)54(41)98/h1-13,38-39,59-64,74-101,111H,14-15H2