| Name |
Tragopogonsaponin D |
| Formula |
C57H82O22 |
| Mw |
1118.52977431 |
| CAS RN |
134361-67-4 |
| C_ID |
C00040530
, 
|
| InChIKey |
VPRXKSGJJTXNTG-GXDHUFHONA-N |
| InChICode |
InChI=1S/C57H82O22/c1-52(2)19-20-57(51(71)79-50-46(38(62)29(59)25-73-50)77-37(61)14-10-26-9-12-30(31(21-26)72-8)74-48-43(67)40(64)39(63)32(24-58)75-48)28(22-52)27-11-13-34-54(5)17-16-36(76-49-44(68)41(65)42(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)60/h9-12,14,21,28-29,32-36,38-46,48-50,58-60,62-68H,13,15-20,22-25H2,1-8H3,(H,69,70)/b14-10+/t28-,29-,32+,33+,34-,35+,36+,38-,39-,40-,41-,42+,43-,44+,45-,46-,48+,49+,50+,54-,55-,56+,57+/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tragopogon porrifolius  | Ref. |
|
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