| Name |
Aesculioside Ib
(-)-Aesculioside Ib |
| Formula |
C47H76O22 |
| Mw |
992.48282411 |
| CAS RN |
886840-34-2 |
| C_ID |
C00034783
, 
|
| InChIKey |
VEASXVOURLKRSS-BADQYDSJNA-N |
| InChICode |
InChI=1S/C47H76O22/c1-42(2)13-19-18-7-8-23-43(3)11-10-24(44(4,16-50)22(43)9-12-45(23,5)46(18,6)35(59)37(61)47(19,17-51)36(60)34(42)58)66-41-33(69-40-29(56)27(54)25(52)20(14-48)64-40)31(30(57)32(68-41)38(62)63)67-39-28(55)26(53)21(15-49)65-39/h7,19-37,39-41,48-61H,8-17H2,1-6H3,(H,62,63)/t19-,20+,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@@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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