| Name |
Sandrosaponin V
(+)-Sandrosaponin V |
| Formula |
C48H76O22S |
| Mw |
1036.45489484 |
| CAS RN |
308358-83-0 |
| C_ID |
C00037787
, 
|
| InChIKey |
CDMIHLDSCJTRAJ-VUAHNOBCNA-N |
| InChICode |
InChI=1S/C48H78O22S/c1-22-30(54)37(68-40-35(59)33(57)36(24(18-50)66-40)70-71(60,61)62)38(69-39-34(58)32(56)31(55)23(17-49)65-39)41(64-22)67-29-9-10-43(3)25(44(29,4)20-52)7-11-45(5)26(43)8-12-48-27-15-42(2,19-51)13-14-47(27,21-63-48)28(53)16-46(45,48)6/h8,12,22-41,49-59H,7,9-11,13-21H2,1-6H3,(H,60,61,62)/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45-,46+,47-,48?/m1/s1 |
| SMILES |
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CC[C@](C)(CO)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rigidum L. | Ref. |
|
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