| Name |
Tragopogonsaponin O |
| Formula |
C63H94O26 |
| Mw |
1266.60333318 |
| CAS RN |
134361-84-5 |
| C_ID |
C00040537
, 
|
| InChIKey |
FNNCEERYBLUPTH-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C63H94O26/c1-58(2)21-22-63(31(23-58)30-14-15-36-60(5)19-18-38(85-55-48(77)44(73)45(74)50(88-55)52(78)80-8)59(3,4)35(60)17-20-61(36,6)62(30,7)24-37(63)67)57(79)89-56-51(49(32(66)27-81-56)87-54-47(76)43(72)41(70)34(26-65)84-54)86-39(68)16-11-28-9-12-29(13-10-28)82-53-46(75)42(71)40(69)33(25-64)83-53/h9-10,12-14,31-38,40-51,53-56,64-67,69-77H,11,15-27H2,1-8H3/t31-,32-,33-,34-,35-,36+,37+,38-,40+,41-,42-,43-,44-,45+,46+,47+,48+,49-,50-,51+,53-,54+,55+,56-,60-,61-,62-,63-/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[C@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)OC(=O)CCc1ccc(cc1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)C)C)C)(C)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)OC)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tragopogon porrifolius  | Ref. |
|
|
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