| Name |
Solidagosaponin XXII |
| Formula |
C76H122O37 |
| Mw |
1626.76649492 |
| CAS RN |
156250-51-0 |
| C_ID |
C00057927
|
| InChIKey |
OBDPONRIQMZTDO-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C76H122O37/c1-29(79)19-44(84)101-30(2)20-45(85)102-31(3)21-46(86)107-61-48(88)33(5)104-69(62(61)111-67-55(95)52(92)58(34(6)105-67)108-65-56(96)59(39(82)27-100-65)109-66-54(94)51(91)47(87)32(4)103-66)113-70(98)76-18-17-71(7,8)22-36(76)35-13-14-42-72(9)23-37(80)63(73(10,28-78)41(72)15-16-74(42,11)75(35,12)24-43(76)83)112-68-57(97)60(50(90)40(25-77)106-68)110-64-53(93)49(89)38(81)26-99-64/h13,29-34,36-43,47-69,77-83,87-97H,14-28H2,1-12H3 |
| SMILES |
CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC1C(O)C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3O)C1OC1OC(C)C(OC2OCC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Solidago virga-aurea  | Ref. |
|
|
zoom in
| Organism | Solidago virga-aurea |
|---|
| Reference | Kubota, T. et al., Chem. Comm., 1968, 1005-1006 (Polygalacic acid, struct) |
|---|
|
