| Name |
Fistulosaponin E |
| Formula |
C51H82O24 |
| Mw |
1078.51960355 |
| CAS RN |
1233486-79-7 |
| C_ID |
C00056696
|
| InChIKey |
AAESRJVNOGIASS-NTHRJIJDSA-N |
| InChICode |
InChI=1S/C51H80O24/c1-19(18-67-46-40(63)37(60)34(57)29(14-52)70-46)5-8-26-20(2)33-28(68-26)12-24-22-7-6-21-11-27(25(56)13-51(21,4)23(22)9-10-50(24,33)3)69-49-45(75-48-42(65)39(62)36(59)31(16-54)72-48)43(66)44(32(17-55)73-49)74-47-41(64)38(61)35(58)30(15-53)71-47/h6,19,22-24,27-49,52-55,57-66H,5,7-18H2,1-4H3/t19-,22-,23+,24+,27-,28+,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](CO)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](CO)[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) |
|---|
|
