| Name |
Tuberoside A |
| Formula |
C45H74O18 |
| Mw |
902.48751556 |
| CAS RN |
1161939-30-5 |
| C_ID |
C00057791
|
| InChIKey |
QPJQWFXMMATADW-VRKPBGSASA-N |
| InChICode |
InChI=1S/C45H74O18/c1-17-16-56-45(14-25(17)47)18(2)30-28(63-45)12-24-22-8-7-21-11-27(26(48)13-44(21,6)23(22)9-10-43(24,30)5)59-42-39(62-41-36(54)34(52)32(50)20(4)58-41)37(55)38(29(15-46)60-42)61-40-35(53)33(51)31(49)19(3)57-40/h17-42,46-55H,7-16H2,1-6H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3C[C@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H]7[C@H](C[C@@H]56)O[C@]5(C[C@H](O)[C@@H](C)CO5)[C@H]7C)[C@@]4(C)C[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium tuberosum  | Ref. |
|
|
zoom in
| Organism | Allium tuberosum |
|---|
| Reference | Hu, G. et al., Food Chem., 2009, 113, 1066-1068 (Tuberoside A) |
|---|
|
