| Name |
Soyasaponin Ad |
| Formula |
C66H102O32 |
| Mw |
1406.63542117 |
| CAS RN |
133898-74-5 |
| C_ID |
C00057854
|
| InChIKey |
PWIQLZBRGACWBM-FPWWFKOGSA-N |
| InChICode |
InChI=1S/C66H102O31/c1-26-39(74)41(76)44(79)57(87-26)95-49-40(75)33(72)22-86-58(49)96-50-43(78)42(77)48(55(82)83)94-59(50)92-38-16-17-63(9)36(64(38,10)25-67)15-18-66(12)37(63)14-13-31-32-21-61(6,7)53(81)54(62(32,8)19-20-65(31,66)11)97-56-45(80)46(34(73)23-85-56)93-60-52(90-30(5)71)51(89-29(4)70)47(88-28(3)69)35(91-60)24-84-27(2)68/h13,26,32-54,56-60,67,72-81H,14-25H2,1-12H3,(H,82,83)/t26-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42-,43-,44+,45+,46-,47+,48-,49-,50+,51-,52+,53-,54+,56-,57-,58+,59+,60-,62+,63-,64+,65+,66+/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]8OC[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) |
|---|
|
