| Name |
Sandrosaponin II |
| Formula |
C48H78O22S |
| Mw |
1038.47054491 |
| CAS RN |
308358-82-9 |
| C_ID |
C00037784
, 
|
| InChIKey |
CDMIHLDSCJTRAJ-NKQSQYBCNA-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 |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@@]3(C=C1)[C@H]1[C@@]([C@H](C2)O)(CC[C@@](C1)(C)CO)CO3)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)OS(=O)(=O)O)CO)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rigidum L. | Ref. |
|
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