| Name |
Soyasaponin Ax |
| Formula |
C63H98O30 |
| Mw |
1334.6142918 |
| CAS RN |
152505-06-1 |
| C_ID |
C00057914
|
| InChIKey |
ZFCFKHISZDAWCQ-GWHBNKMTSA-N |
| InChICode |
InChI=1S/C63H98O29/c1-26(66)18-29-22-81-56(51(85-28(3)68)46(29)84-27(2)67)88-47-33(70)24-82-53(45(47)78)92-63-17-16-61(8)30(31(63)19-58(4,5)37(71)20-63)10-11-36-59(6)14-13-38(60(7,25-65)35(59)12-15-62(36,61)9)87-57-50(43(76)42(75)48(89-57)52(79)80)91-55-49(39(72)32(69)23-83-55)90-54-44(77)41(74)40(73)34(21-64)86-54/h10,29,31-51,53-57,64-65,69-78H,11-25H2,1-9H3,(H,79,80)/t29-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44-,45-,46+,47+,48+,49-,50-,51-,53?,54+,55+,56+,57-,59+,60-,61-,62-,63-/m1/s1 |
| SMILES |
CC(=O)C[C@@H]1CO[C@@H](O[C@H]2[C@@H](O)COC(O[C@@]34CC[C@]5(C)C(=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](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@](C)(CO)[C@@H]7CC[C@]65C)[C@@H]3CC(C)(C)[C@@H](O)C4)[C@@H]2O)[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) |
|---|
|
