| Name |
Aesculioside IId
(-)-Aesculioside IId |
| Formula |
C46H72O17 |
| Mw |
896.47695088 |
| CAS RN |
886840-41-1 |
| C_ID |
C00034790
, 
|
| InChIKey |
SMBRHXBVGDCQRG-HGFFKWAUNA-N |
| InChICode |
InChI=1S/C46H72O17/c1-9-21(2)38(58)63-36-35(55)46(20-49)23(16-41(36,3)4)22-10-11-26-42(5)14-13-28(43(6,19-48)25(42)12-15-44(26,7)45(22,8)17-27(46)50)60-40-32(54)33(31(53)34(62-40)37(56)57)61-39-30(52)29(51)24(18-47)59-39/h9-10,23-36,39-40,47-55H,11-20H2,1-8H3,(H,56,57)/b21-9-/t23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,39-,40+,42-,43+,44+,45+,46-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=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@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus pavia | Ref. |
|
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