| Name |
Fistulosaponin A |
| Formula |
C51H80O22 |
| Mw |
1044.51412424 |
| CAS RN |
1233486-75-3 |
| C_ID |
C00056692
|
| InChIKey |
MFYDEFVOMLKLGX-HSDHRCPLSA-N |
| InChICode |
InChI=1S/C51H80O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h8,19,21-22,24-26,29-49,52-53,55-64H,7,9-18H2,1-6H3/t19-,21+,22+,24-,25+,26+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1 |
| SMILES |
CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium fistulosum  | Ref. |
|
|
zoom in
| Organism | Allium fistulosum |
|---|
| Reference | Lai, W. et al., J. Nat. Prod., 2010, 73, 1053-1057 (Fistulosaponins A,E) |
|---|
|
