| Name |
Perennisaponin A |
| Formula |
C57H90O24 |
| Mw |
1158.58220381 |
| CAS RN |
1033766-69-6 |
| C_ID |
C00030961
, 
|
| InChIKey |
ZGWXYVYXBBNDTH-QFDHMZQUNA-N |
| InChICode |
InChI=1S/C57H90O24/c1-23-35(64)36(65)37(66)48(73-23)79-43-31(62)21-72-47(40(43)69)78-42-25(3)74-49(44(39(42)68)77-27(5)60)80-45-38(67)41(76-26(4)59)24(2)75-50(45)81-51(71)57-17-16-52(6,7)18-29(57)28-12-13-33-53(8)19-30(61)46(70)54(9,22-58)32(53)14-15-55(33,10)56(28,11)20-34(57)63/h12,23-25,29-50,58,61-70H,13-22H2,1-11H3/t23-,24+,25-,29-,30-,31+,32+,33+,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49-,50-,53-,54-,55+,56+,57+/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2OC(C)=O)C(OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)O[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Bellis perennis  | Ref. |
|
|
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