| Name |
Polygalasaponin XXI |
| Formula |
C53H84O24 |
| Mw |
1104.53525361 |
| CAS RN |
173933-36-3 |
| C_ID |
C00041783
, 
|
| InChIKey |
YYKZNHZSXTUOJX-TVLHFGMHNA-N |
| InChICode |
InChI=1S/C53H84O24/c1-21-39(74-42-36(64)30(58)25(57)20-70-42)35(63)38(66)43(71-21)75-40-34(62)32(60)27(19-55)73-45(40)77-47(69)53-14-12-48(2,3)16-23(53)22-8-9-28-49(4)17-24(56)41(76-44-37(65)33(61)31(59)26(18-54)72-44)52(7,46(67)68)29(49)10-11-51(28,6)50(22,5)13-15-53/h8,21,23-45,54-66H,9-20H2,1-7H3,(H,67,68)/t21-,23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,45-,49+,50+,51+,52-,53-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala japonica | Ref. |
|
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