| Name |
Aesculioside Ie
(-)-Aesculioside Ie |
| Formula |
C41H66O16 |
| Mw |
814.43508606 |
| CAS RN |
886840-37-5 |
| C_ID |
C00034786
, 
|
| InChIKey |
GCGMNWIKLNHQRV-YQIJLPLJNA-N |
| InChICode |
InChI=1S/C41H66O16/c1-36(2)13-19-18-7-8-22-37(3)11-10-24(55-35-28(49)29(27(48)30(57-35)33(52)53)56-34-26(47)25(46)20(15-42)54-34)38(4,16-43)21(37)9-12-39(22,5)40(18,6)14-23(45)41(19,17-44)32(51)31(36)50/h7,19-32,34-35,42-51H,8-17H2,1-6H3,(H,52,53)/t19-,20-,21+,22+,23+,24-,25-,26+,27-,28+,29-,30-,31-,32-,34-,35+,37-,38+,39+,40+,41-/m0/s1 |
| SMILES |
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus pavia | Ref. |
|
|
zoom in
| Organism | Aesculus pavia |
|---|
| Reference | Zhang,Phytochem.,67,(2006),784 |
|---|
|
