natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD117362 | 5.78 | 1558.01 | C74H89O26N10Cl | CNC(CC(C)C)C(O)=NC1C(O)=NC(CC(=N)O)C(O)=NC2C(O)=NC3C(O)=NC(C(O)=NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2)C1O |
|
GD117363 | -5.29 | 1239.32 | C57H90O29 | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(CO)C6C(O)CC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O |
|
GD117364 | 1.8 | 638.84 | C35H58O10 | CC(C)C(=CCO)CCC(C)C1C(O)CC2C3=C(CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)CC1C(O)C3O |
|
GD117365 | -4.39 | 1283.42 | C60H98O29 | CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC21OC3O |
|
GD117366 | 6.41 | 657.85 | C37H55O9N | C=CC1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(=O)CCC)C(OC(C)=O)C5N=C(C)O)CCC4(C)C3CCC12C |
|
GD117367 | -2.25 | 280.27 | C11H20O8 | COC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O |
|
GD117368 | 2.48 | 650.85 | C36H58O10 | CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O |
|
GD117369 | 3.0 | 600.75 | C34H48O9 | CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC23C)C1 |
|
GD117370 | 5.11 | 774.95 | C42H62O13 | COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC6C(=O)C(C)(c7ccoc7C)CCC6C5(C)CC4=O)CC3OC)CC2OC)OC(C)C1O |
|
GD117371 | 5.01 | 774.01 | C43H67O11N | COC1C(C)OC(OC2CC3C=CC4C5CC(=O)OC(C=CC(C)O)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C(OC)C1OC |