| Name |
Conyzasaponin Q
(-)-Conyzasaponin Q |
| Formula |
C67H108O34 |
| Mw |
1456.6722006 |
| CAS RN |
653593-40-9 |
| C_ID |
C00044647
, 
|
| InChIKey |
GVROXKODQCCKSR-NZIRGBOLNA-N |
| InChICode |
InChI=1S/C67H108O34/c1-26-46(95-55-43(82)47(33(75)22-90-55)96-53-41(80)37(76)30(72)19-88-53)49(98-59-51(85)67(87,24-70)25-92-59)45(84)56(93-26)99-50-39(78)32(74)21-91-58(50)101-60(86)66-14-12-61(2,3)16-28(66)27-8-9-36-62(4)17-29(71)52(63(5,23-69)35(62)10-11-65(36,7)64(27,6)13-15-66)100-57-44(83)48(40(79)34(18-68)94-57)97-54-42(81)38(77)31(73)20-89-54/h8,26,28-59,68-85,87H,9-25H2,1-7H3/t26-,28-,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-,64+,65+,66-,67+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](OC2OC[C@](O)(CO)[C@H]2O)C1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
|
zoom in
|
