| Name |
Solidagosaponin XVIII |
| Formula |
C67H108O31 |
| Mw |
1408.68745674 |
| CAS RN |
142846-91-1 |
| C_ID |
C00057890
|
| InChIKey |
FYGIGJNSOCWSHI-BEXRZBFJSA-N |
| InChICode |
InChI=1S/C67H108O31/c1-26(70)18-39(74)88-27(2)19-40(75)93-52-30(5)91-60(54(49(52)84)96-58-48(83)45(80)51(29(4)90-58)94-56-50(85)53(34(72)24-87-56)95-57-46(81)43(78)41(76)28(3)89-57)98-61(86)67-17-16-62(6,7)20-32(67)31-12-13-37-63(8)21-33(71)55(97-59-47(82)44(79)42(77)35(23-68)92-59)64(9,25-69)36(63)14-15-65(37,10)66(31,11)22-38(67)73/h12,26-30,32-38,41-60,68-73,76-85H,13-25H2,1-11H3/t26?,27?,28-,29-,30+,32-,33-,34+,35-,36+,37+,38?,41-,42+,43+,44-,45-,46+,47+,48+,49-,50+,51-,52-,53-,54+,55-,56-,57-,58-,59-,60-,63-,64-,65+,66+,67+/m0/s1 |
| SMILES |
CC(O)CC(=O)OC(C)CC(=O)O[C@@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3O)O[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Solidago virga-aurea  | Ref. |
|
|
zoom in
| Organism | Solidago virga-aurea |
|---|
| Reference | Kubota, T. et al., Chem. Comm., 1968, 1005-1006 (Polygalacic acid, struct) |
|---|
|
