| Name |
Bacopasaponin E |
| Formula |
C51H82O21 |
| Mw |
1030.53485968 |
| CAS RN |
267895-16-9 |
| C_ID |
C00029771
, 
|
| InChIKey |
JEVGMGGDVRCRKY-CZADMOJCNA-N |
| InChICode |
InChI=1S/C51H82O21/c1-22(2)14-23-15-49(7,72-42-36(60)32(56)25(54)18-63-42)41-24-8-9-30-47(5)12-11-31(46(3,4)29(47)10-13-48(30,6)50(24)20-51(41,71-23)65-21-50)68-45-40(70-43-37(61)34(58)28(17-53)67-43)39(26(55)19-64-45)69-44-38(62)35(59)33(57)27(16-52)66-44/h14,23-45,52-62H,8-13,15-21H2,1-7H3/t23-,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43-,44-,45-,47-,48+,49-,50-,51-/m0/s1 |
| SMILES |
CC(C)=C[C@H]1C[C@](C)(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Bacopa monnieri  | Ref. |
|
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