柴胡皂苷B4(58558-09-1)名称与标识符
名称
中文别名:
柴胡皂苷B4;{
"\"0\"": "柴胡皂苷 B4"
};
英文别名:
Saikosaponin-b(4);Saikosaponin B4;(3beta,4alpha,11alpha,16alpha)-16,23,28-Trihydroxy-11-methoxyolean-12-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside;{
"\"0\"": "(3beta,4alpha,11alpha,16alpha)-16,23,28-Trihydroxy-11-methoxyolean-12-en-3-yl 6-deoxy-3-O-beta-D-glucopyranosyl-beta-D-galactopyranoside"
};(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(6Ar,6bS,8S,8aS,12aR,14S,14bS)-8-hydroxy-4,8a-bis(hydroxyme;
标识符
InChIKey:
UEBSUYXDXSNJSV-PQYMCJADSA-N
Inchi:
1S/C43H72O14/c1-21-29(48)31(50)32(51)36(54-21)57-34-30(49)25(18-44)55-37(33(34)52)56-28-10-11-39(4)26(40(28,5)19-45)9-12-41(6)35(39)24(53-8)15-22-23-16-38(2,3)13-14-43(23,20-46)27(47)17-42(22,41)7/h15,21,23-37,44-52H,9-14,16-20H2,1-8H3/t21-,23-,24?,25-,26?,27+,28?,29-,30-,31+,32-,33-,34+,35?,36+,37+,39+,40?,41-,42-,43-/m1/s1
SMILES:
O(C([H])([H])[H])C1([H])C([H])=C2[C@@]3([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])O[H])[C@]([H])(C([H])([H])[C@@]2(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])C(C([H])([H])[H])(C([H])([H])O[H])C([H])(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C21[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H])O[H]