| 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 |
C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@@H]([C@@H]([C@@]1(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala japonica | Ref. |
|
|
zoom in
| Organism | Polygala japonica |
|---|
| Reference | Li,J.Nat.Prod.,69,(2006),591 |
|---|
|
