| Name |
Malonylsaikosaponin D |
| Formula |
C45H70O16 |
| Mw |
866.46638619 |
| CAS RN |
125139-26-6 |
| C_ID |
C00051449
|
| InChIKey |
QNWQJJFTVUHZIY-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C45H70O16/c1-22-31(51)36(61-37-34(54)33(53)32(52)23(59-37)19-56-30(50)16-29(48)49)35(55)38(58-22)60-28-10-11-40(4)24(41(28,5)20-46)8-12-42(6)25(40)9-13-45-26-17-39(2,3)14-15-44(26,21-57-45)27(47)18-43(42,45)7/h9,13,22-28,31-38,46-47,51-55H,8,10-12,14-21H2,1-7H3,(H,48,49)/t22-,23-,24-,25-,26?,27-,28+,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42-,43+,44-,45+/m1/s1 |
| SMILES |
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(COC(=O)COC=O)C(O)C(O)C2O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum falcatum  | Ref. |
|
|
zoom in
| Organism | Bupleurum falcatum |
|---|
| Reference | Liu, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 27, (2002), 7 |
|---|
|
