| Name |
Aesculioside Ia |
| Formula |
C47H76O21 |
| Mw |
976.48790949 |
| CAS RN |
881382-50-9 |
| C_ID |
C00034782
, 
|
| InChIKey |
SFSCPAMOTYSWMO-SSGMUZNRNA-N |
| InChICode |
InChI=1S/C47H76O21/c1-42(2)14-19-18-8-9-23-44(5)12-11-24(43(3,4)22(44)10-13-45(23,6)46(18,7)35(58)37(60)47(19,17-50)36(59)34(42)57)65-41-33(68-40-29(55)27(53)25(51)20(15-48)63-40)31(30(56)32(67-41)38(61)62)66-39-28(54)26(52)21(16-49)64-39/h8,19-37,39-41,48-60H,9-17H2,1-7H3,(H,61,62)/t19-,20+,21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-,37+,39-,40-,41+,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)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[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. |
|
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