| Name |
Sandrosaponin VIII |
| Formula |
C48H76O23S |
| Mw |
1052.44980947 |
| CAS RN |
303953-04-0 |
| C_ID |
C00046894
, 
|
| InChIKey |
NBGLIWFDJBFQQQ-GXEGOSNSNA-N |
| InChICode |
InChI=1S/C48H76O23S/c1-21-30(54)37(69-40-35(59)33(57)36(25(18-50)67-40)71-72(62,63)64)38(70-39-34(58)32(56)31(55)24(17-49)66-39)41(65-21)68-29-10-11-44(3)26(45(29,4)19-51)9-12-46(5)27(44)8-7-22-23-15-43(2,42(60)61)13-14-48(23,20-52)28(53)16-47(22,46)6/h7-8,21,24-41,49-59H,9-20H2,1-6H3,(H,60,61)(H,62,63,64)/t21-,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@@]1(CC[C@]2(C(=C3[C@@](C[C@H]2O)([C@]2([C@H](C=C3)[C@@]3([C@@H](CC2)[C@@]([C@H](CC3)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)OS(=O)(=O)O)CO)O)C)(CO)C)C)C)C)C1)CO)(C)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rigidum | Ref. |
|
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