| Name |
Tragopogonsaponin C |
| Formula |
C51H72O17 |
| Mw |
956.47695088 |
| CAS RN |
134361-66-3 |
| C_ID |
C00040529
, 
|
| InChIKey |
CQLXSSXKONOTMU-GXDHUFHONA-N |
| InChICode |
InChI=1S/C51H72O17/c1-46(2)19-20-51(45(62)68-44-41(36(56)29(53)24-64-44)66-35(55)14-10-25-9-12-28(52)30(21-25)63-8)27(22-46)26-11-13-32-48(5)17-16-34(65-43-39(59)37(57)38(58)40(67-43)42(60)61)47(3,4)31(48)15-18-49(32,6)50(26,7)23-33(51)54/h9-12,14,21,27,29,31-34,36-41,43-44,52-54,56-59H,13,15-20,22-24H2,1-8H3,(H,60,61)/b14-10+/t27-,29+,31-,32+,33-,34+,36+,37-,38+,39-,40-,41-,43-,44+,48+,49+,50+,51+/m1/s1 |
| SMILES |
C1[C@@H](C([C@@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2(C(=CC1)[C@@H]1[C@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)C)C)C)(C)C)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tragopogon porrifolius  | Ref. |
|
|
zoom in
|
