1235721-47-7 (绞股蓝皂苷VN1,gypenoside VN1)

CAS号:
1235721-47-7
中文名称:
绞股蓝皂苷VN1
英文名称:
gypenoside VN1
分子式:
C59O26
分子量:
1124.6157169342

绞股蓝皂苷VN1(1235721-47-7)名称与标识符

名称

英文别名:
gypenoside VN1;

标识符

InChIKey:
COCDBSLHVGXXSL-UHFFFAOYSA-N
Inchi:
1S/C59O26/c1-25(2)10-9-16-59(75,24-78-51-45(72)43(70)39(66)32(82-51)23-77-50-44(71)41(68)37(64)30(20-60)80-50)28-13-18-57(7)27(28)11-12-34-56(6)17-15-35(55(4,5)33(56)14-19-58(34,57)8)83-54-49(85-52-46(73)40(67)36(63)26(3)79-52)48(29(62)22-76-54)84-53-47(74)42(69)38(65)31(21-61)81-53
SMILES:
[C][C]1[C]([O])[C]([O])[C]([O])[C](O[C]2[C](O[C]3[C]([O])[C]([O])[C]([O])[C]([C][O])O3)[C]([O])[C]O[C]2O[C]2C([C])([C])[C]3[C][C]C4(C5([C]([C](C([C]O[C]6[C]([O])[C]([O])[C]([O])[C]([C]O[C]7[C]([O])[C]([O])[C]([O])[C]([C][O])O7)O6)([C][C]/[C]=C(\[C])/[C])[O])[C][C]5)[C][C][C]4C3([C])[C][C]2)[C])[C])O1 |^1:0,1,2,3,4,5,6,7,8,10,11,13,14,15,16,17,18,19,20,22,24,25,28,30,32,33,34,39,40,44,45,46,47,48,49,50,51,54,55,56,57,58,59,60,61,63,68,70,71,72,77,79,82,83,^4:21,26,35,36,42,52,62,66,67,73,74,75,76,80,81|