| Name |
Acetylsoyasaponin A6 |
| Formula |
C57H88O25 |
| Mw |
1172.56146836 |
| CAS RN |
117230-35-0 |
| C_ID |
C00054754
|
| InChIKey |
NYYNWFSJUAJYCV-RQGFYCCJSA-N |
| InChICode |
InChI=1S/C57H88O25/c1-24(59)75-31-22-74-50(44(77-26(3)61)41(31)76-25(2)60)79-40-30(63)21-73-49(39(40)68)82-46-45(69)52(4,5)19-28-27-11-12-33-54(7)15-14-34(55(8,23-58)32(54)13-16-57(33,10)56(27,9)18-17-53(28,46)6)78-51-43(37(66)36(65)42(80-51)47(70)71)81-48-38(67)35(64)29(62)20-72-48/h11,28-46,48-51,58,62-69H,12-23H2,1-10H3,(H,70,71)/t28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44+,45-,46+,48-,49-,50-,51+,53+,54-,55+,56+,57+/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@H](O)C(C)(C)C[C@H]4C5=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]5(C)CC[C@@]34C)OC[C@@H]2O)OC[C@H]1OC(C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Glycine max  | Ref. |
|
|
zoom in
| Organism | Glycine max |
|---|
| Reference | Kitagawa, I. et al., Chem. Pharm. Bull., 1982, 30, 2294-2297
1985, 33, 1069-1076
1988, 36, 153-161
2819-2828
2829-2839
1985, 33, 598-608 (Soyasapogenol A, Soyasaponins A, Acetylsoyasaponins A, struct) |
|---|
|
