| Name |
Soyasaponin Ac |
| Formula |
C67H104O32 |
| Mw |
1420.65107123 |
| CAS RN |
133882-74-3 |
| C_ID |
C00057853
|
| InChIKey |
ZWQKNJJAVDRYFR-YZEUQXQFSA-N |
| InChICode |
InChI=1S/C67H104O32/c1-26-39(75)41(77)45(81)58(88-26)97-50-42(78)40(76)34(22-68)92-59(50)98-51-44(80)43(79)49(56(84)85)96-60(51)94-38-16-17-64(9)36(65(38,10)25-69)15-18-67(12)37(64)14-13-31-32-21-62(6,7)54(83)55(63(32,8)19-20-66(31,67)11)99-57-46(82)47(33(74)23-87-57)95-61-53(91-30(5)73)52(90-29(4)72)48(89-28(3)71)35(93-61)24-86-27(2)70/h13,26,32-55,57-61,68-69,74-83H,14-25H2,1-12H3,(H,84,85)/t26-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41+,42-,43-,44-,45+,46+,47-,48+,49-,50-,51+,52-,53+,54-,55+,57-,58-,59+,60+,61-,63+,64-,65+,66+,67+/m0/s1 |
| SMILES |
CC(=O)OC[C@H]1O[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]8O[C@H](CO)[C@H](O)[C@H](O)[C@@H]8O[C@@H]8O[C@@H](C)[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)[C@H](OC(C)=O)[C@@H](OC(C)=O)[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) |
|---|
|
