| Name |
Sandrosaponin I
(+)-Sandrosaponin I |
| Formula |
C48H78O21S |
| Mw |
1022.47563029 |
| CAS RN |
214263-43-1 |
| C_ID |
C00050214
, 
|
| InChIKey |
SNGUSKYTGIVEHJ-PIKCGVDINA-N |
| InChICode |
InChI=1S/C48H78O21S/c1-22-30(53)37(67-40-35(58)33(56)36(24(19-50)65-40)69-70(59,60)61)38(68-39-34(57)32(55)31(54)23(18-49)64-39)41(63-22)66-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-62-48)28(52)17-46(45,48)7/h9,13,22-41,49-58H,8,10-12,14-21H2,1-7H3,(H,59,60,61)/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,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(CCC(C)(C)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 | Ref. |
|
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