| Name |
Tragopogonsaponin E |
| Formula |
C58H84O22 |
| Mw |
1132.54542437 |
| CAS RN |
134453-42-2 |
| C_ID |
C00040531
, 
|
| InChIKey |
FQDYAELZPDIZMA-RVDMUPIBNA-N |
| InChICode |
InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-51-47(39(63)30(60)26-74-51)78-38(62)15-11-27-10-13-31(32(22-27)72-8)75-49-44(68)41(65)40(64)33(25-59)76-49)29(23-53)28-12-14-35-55(5)18-17-37(77-50-45(69)42(66)43(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)61/h10-13,15,22,29-30,33-37,39-47,49-51,59-61,63-69H,14,16-21,23-26H2,1-9H3/b15-11+/t29-,30-,33-,34+,35+,36+,37+,39-,40+,41-,42+,43+,44+,45-,46+,47-,49+,50-,51-,55+,56-,57+,58-/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)OC)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tragopogon porrifolius  | Ref. |
|
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