natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119822 | 1.92 | 829.89 | C42H55O16N | CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC |
|
GD119823 | 4.8 | 1021.96 | C37H66O18N7P3S | CCCCCCCCCCCCCC(O)CC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O |
|
GD119824 | 0.35 | 663.63 | C34H33O13N | COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3C3=c4ccccc4=NC3)OCC21 |
|
GD119825 | -0.19 | 366.41 | C16H30O9 | COC1COC(OC2COC(OC)C(OC)C2OC)C(OC)C1OC |
|
GD119826 | 3.69 | 704.9 | C39H60O11 | C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD119827 | -0.86 | 367.45 | C17H29O4N5 | CNCc1cn(CC2OC(CC(=O)N3CCC(C)CC3)C(O)C2O)nn1 |
|
GD119828 | -1.32 | 236.22 | C9H16O7 | COC(C=O)C(OC)C(OC)C(O)C(=O)O |
|
GD119829 | 3.43 | 1445.82 | C72H132O28 | CC(O)CCCCCCCC(CCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCC(CCCCCC(C)O)OC3OC(CO)C(O)C(O)C3O)CC(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2O)OC1OC(CO)C(O)C(O)C1O |
|
GD119830 | 4.35 | 720.94 | C40H64O11 | CCCC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(O)CC34C)C2(C)CO)C(O)C(O)C1O |
|
GD119831 | 0.67 | 420.46 | C22H28O8 | COc1cccc(CCc2cc(OC)cc(OC3OC(CO)C(O)C(O)C3O)c2)c1 |