| Name |
Scrophulasaponin III |
| Formula |
C54H88O22 |
| Mw |
1088.5767245 |
| CAS RN |
155762-35-9 |
| C_ID |
C00063936
|
| InChIKey |
MRBUZKJAUIJHKS-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C54H88O22/c1-23-33(60)36(63)39(66)45(69-23)74-42-28(20-56)72-47(41(68)38(42)65)75-43-34(61)24(2)70-48(44(43)76-46-40(67)37(64)35(62)27(19-55)71-46)73-32-12-13-50(5)29(51(32,6)21-57)11-14-53(8)30(50)10-9-25-26-17-49(3,4)31(59)18-54(26,22-58)16-15-52(25,53)7/h9-10,23-24,27-48,55-68H,11-22H2,1-8H3 |
| SMILES |
CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)C(O)CC7(CO)CCC56C)C4(C)CO)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Scrophulariaceae | Scrophularia kakudensis | Ref. |
|
|
zoom in
| Organism | Scrophularia kakudensis |
|---|
| Reference | Singh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA. |
|---|
|
