| Name |
Ascalonicoside D |
| Formula |
C46H76O21 |
| Mw |
964.48790949 |
| CAS RN |
953782-44-0 |
| C_ID |
C00054969
|
| InChIKey |
XJXIHKNRUWKFRJ-ZZNRATRZSA-N |
| InChICode |
InChI=1S/C46H76O21/c1-18(17-61-40-36(56)32(52)30(50)27(15-47)63-40)7-10-46(60-6)20(3)29-25(67-46)12-23-21-11-19(2)45(59)14-26(24(49)13-44(45,5)22(21)8-9-43(23,29)4)62-42-38(34(54)31(51)28(16-48)64-42)65-41-37(57)33(53)35(55)39(58)66-41/h18-23,25-42,47-48,50-59H,7-17H2,1-6H3/t18-,19-,20+,21-,22+,23+,25+,26-,27-,28-,29+,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44-,45+,46-/m1/s1 |
| SMILES |
C[C@]1(C2)[C@]([C@H](C)C[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])C[C@@]5([H])[C@]4([H])[C@H](C)[C@@](O5)(OC)CC[C@@H](C)CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(O)C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H](O)[C@H](O)[C@@H](O)[C@H]8O)C2=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium ascalonicum  | Ref. |
|
|
zoom in
| Organism | Allium ascalonicum |
|---|
| Reference | Mimaki, Y. et al., Chem. Pharm. Bull., 1994, 42, 710-714 (Allium giganteum constits) |
|---|
|
