| 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 |
C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1([C@H]([C@H]2O)O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)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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