natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD118182 | 8.39 | 1004.44 | C55H105O14N | CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCC(C)CC |
|
GD118183 | 5.1 | 1241.43 | C64H92O22N2 | COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=CC(C)=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])O |
|
GD118184 | 1.35 | 913.11 | C47H76O17 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD118185 | -4.8 | 1483.61 | C69H110O34 | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(OC6OC(C)C(O)C(O)C6O)C5OC5OC(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)C5O)C(O)CC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O |
|
GD118186 | -5.2 | 1285.43 | C60H100O29 | CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C |
|
GD118187 | 4.51 | 870.13 | C49H75O12N | CNCc1ccc(COC2CC3(C)C(CCC4(C)C3C(CCC(O)CC=O)C=C3C5CC(C)(CO)CCC5(C(=O)O)CCC34C)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1 |
|
GD118188 | 6.48 | 1105.41 | C57H100O20 | CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3O)OC(C)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)C(C)CC)C(O)C2O)C1O |
|
GD118189 | -2.81 | 364.33 | C12H16O9N2S | Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(S(N)(=O)=O)c1 |
|
GD118190 | 3.27 | 588.74 | C33H48O9 | CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)CC3OC(=O)CC(C)C3C12C |
|
GD118191 | -0.21 | 540.61 | C27H40O11 | CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1C2C2CC3(C(O)O2)C(C(=O)CO)CCC13 |