| 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 |
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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)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. |
|
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