| Name |
Polysciasaponin P1 |
| Formula |
C54H86O24 |
| Mw |
1118.55090368 |
| CAS RN |
128397-33-1 |
| C_ID |
C00040049
, 
|
| InChIKey |
DGJVIGKZMCASLE-ORNYFWPNNA-N |
| InChICode |
InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)33(61)31(59)25(20-56)72-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(35(63)34(62)41(76-47)43(68)69)77-45-39(67)36(64)40(26(21-57)73-45)75-44-37(65)32(60)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39+,40+,41-,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=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]6O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Polyscias scutellaria  | Ref. |
|
|
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