aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00701 | 0.32 | 281.27 | C10H9O4N4S | NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1 |
|
AD00702 | 1.89 | 778.93 | C41H62O14 | CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O |
|
AD00703 | 1.13 | 373.18 | C11H14ON6I | O=C(CI)NCCCCNc1ncnc2c1N=C[N]2 |
|
AD00704 | 3.86 | 285.33 | C18H13N4 | C1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1 |
|
AD00705 | 2.34 | 244.25 | C14H12O4 | Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O |
|
AD00706 | 2.16 | 260.25 | C14H12O5 | O=C(OCc1cc(O)ccc1O)c1ccccc1O |
|
AD00707 | -0.46 | 259.25 | C10H11ON8 | CNc1nc(-n2cc(CCO)nn2)nc2c1N=C[N]2 |
|
AD00708 | 5.02 | 495.7 | C27H43O6S | CC(C)CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C |
|
AD00709 | 1.6 | 305.33 | C15H13N8 | CNc1nc(-n2cc(Cc3ccccc3)nn2)nc2c1N=C[N]2 |
|
AD00710 | -2.15 | 826.01 | C38H67O11N9 | CC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)O)C(C)C)C(C)C)C(C)C |