| Name |
Soyasaponin A2 |
| Formula |
C53H86O24 |
| Mw |
1106.55090368 |
| CAS RN |
78693-93-3 |
| C_ID |
C00019004
, 
|
| InChIKey |
QSWYVJWAKZGGIL-VGHOTVCHNA-N |
| InChICode |
InChI=1S/C53H86O24/c1-48(2)16-22-21-8-9-27-50(4)12-11-28(73-47-40(34(63)33(62)39(75-47)43(68)69)76-46-36(65)32(61)30(59)25(18-55)72-46)51(5,20-56)26(50)10-13-53(27,7)52(21,6)15-14-49(22,3)42(41(48)67)77-44-37(66)38(23(57)19-70-44)74-45-35(64)31(60)29(58)24(17-54)71-45/h8,22-42,44-47,54-67H,9-20H2,1-7H3,(H,68,69)/t22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32+,33+,34+,35+,36-,37+,38-,39+,40+,41+,42-,44+,45+,46+,47-,49-,50+,51+,52-,53-/m1/s1 |
| SMILES |
CC1(C)CC2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@@H](O)[C@H](O)C6O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Glycine max  | Ref. |
|
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