| Name |
Aesculioside Id
(-)-Aesculioside Id |
| Formula |
C47H76O21 |
| Mw |
976.48790949 |
| CAS RN |
886840-36-4 |
| C_ID |
C00034785
, 
|
| InChIKey |
HQXYAZQWEIYVDF-XOYRQJMKNA-N |
| InChICode |
InChI=1S/C47H76O21/c1-42(2)13-20-19-7-8-24-43(3)11-10-26(44(4,17-50)23(43)9-12-45(24,5)46(19,6)14-25(52)47(20,18-51)37(60)36(42)59)65-41-35(68-40-31(57)29(55)27(53)21(15-48)63-40)33(32(58)34(67-41)38(61)62)66-39-30(56)28(54)22(16-49)64-39/h7,20-37,39-41,48-60H,8-18H2,1-6H3,(H,61,62)/t20-,21+,22-,23+,24+,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,39-,40-,41+,43-,44+,45+,46+,47-/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@@H]6O[C@H](CO)[C@H](O)[C@H](O)[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 |
|---|
|
