| 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 |
C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@]1(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O)C(=O)O)C)C)CO)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus pavia | Ref. |
|
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