| Name |
Perennisaponin D
(-)-Perennisaponin D |
| Formula |
C65H104O29 |
| Mw |
1348.66632736 |
| CAS RN |
1033766-72-1 |
| C_ID |
C00030964
, 
|
| InChIKey |
WYDWCCSODQNAGV-RTUOHTDWNA-N |
| InChICode |
InChI=1S/C65H104O29/c1-25(84-30(6)67)19-38(71)89-51-41(74)28(4)87-58(52(51)92-56-47(80)44(77)49(29(5)88-56)90-54-48(81)50(34(69)23-83-54)91-55-45(78)42(75)39(72)26(2)85-55)94-59(82)65-18-17-60(7,8)20-32(65)31-13-14-36-61(9)21-33(68)53(93-57-46(79)43(76)40(73)27(3)86-57)62(10,24-66)35(61)15-16-63(36,11)64(31,12)22-37(65)70/h13,25-29,32-37,39-58,66,68-70,72-81H,14-24H2,1-12H3/t25-,26-,27-,28+,29-,32-,33-,34+,35+,36+,37+,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,61+,62-,63+,64+,65+/m0/s1 |
| SMILES |
CC(=O)O[C@@H](C)CC(=O)O[C@H]1[C@@H](O)[C@@H](C)OC(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@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Bellis perennis  | Ref. |
|
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