139501-36-3 (醉鱼草皂苷I,Buddlejasaponin I)

快速询单

结构式：

醉鱼草皂苷IMOL文件

CAS号：

139501-36-3

中文名称：

醉鱼草皂苷I

英文名称：

Buddlejasaponin I

分子式：

C₅₄H₈₈O₂₂

分子量：

1089.26333999634

植物源：

醉鱼草

醉鱼草皂苷I(139501-36-3)名称与标识符

名称

英文别名：

Buddlejasaponin I;139501-36-3;CHEMBL1779148;(3beta,4alpha,16beta)-13,28-Epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-o-beta-D-glucopyranosyl-(1->3)-O-(beta-D-glucopyranosyl-(1->2))-6-deoxy-beta-D-galactopyranoside;(3.BETA.,4.ALPHA.,16.BETA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-6-DEOXY-.BETA.-D-GALACTOPYRANOSIDE;Verbascosaponin B;beta-D-Galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-o-beta-D-glucopyranosyl-(1->3)-O-(beta-D-glucopyranosyl-(1->2))-6-deoxy-;.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.,16.BETA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-6-DEOXY-;D85WF6QG9M;UNII-D85WF6QG9M;

标识符

InChIKey：

BIGBIRHBEOQTAL-YHUBRDCXSA-N

Inchi：

1S/C54H88O22/c1-23-32(59)35(62)38(65)44(69-23)74-41-26(20-56)72-46(40(67)37(41)64)75-42-33(60)24(2)70-47(43(42)76-45-39(66)36(63)34(61)25(19-55)71-45)73-31-11-12-49(5)27(50(31,6)21-57)9-13-51(7)28(49)10-14-54-29-17-48(3,4)15-16-53(29,22-68-54)30(58)18-52(51,54)8/h10,14,23-47,55-67H,9,11-13,15-22H2,1-8H3/t23-,24+,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42-,43+,44-,45-,46-,47-,49-,50-,51+,52-,53+,54-/m0/s1

SMILES：

O1C[C@]23CCC(C)(C)C[C@H]2[C@@]21C=C[C@@H]1[C@@]4(C)CC[C@@H]([C@@](C)(CO)[C@@H]4CC[C@@]1(C)[C@]2(C)C[C@@H]3O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](C)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O