aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04491 | 1.86 | 259.68 | C13H8ON4Cl | CC1=N[N]c2c1ncn(-c1ccc(Cl)cc1)c2=O |
|
AD04492 | 3.47 | 462.36 | C19H12O6N9 | O=C(Nc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncnc2c1N=C[N]2 |
|
AD04493 | 2.61 | 600.66 | C30H34O5N9 | CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NC(=O)OC(C)(C)C |
|
AD04494 | 0.82 | 162.18 | C7H8N5 | CCNc1ncnc2c1N=C[N]2 |
|
AD04495 | -0.09 | 129.08 | H4O3NPS | NOP(=O)(O)S |
|
AD04496 | 3.93 | 513.72 | C27H45O7S | CC(C)CCCC(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C |
|
AD04497 | 3.69 | 217.42 | C12H27NS | CCCNCCCCCC(CC)SC |
|
AD04498 | 0.87 | 206.18 | C10H7O2N2F | O=c1[nH]cc(-c2ccc(F)cc2)c(=O)[nH]1 |
|
AD04499 | 11.03 | 1021.2 | C57H48O12S3 | O=C(O)Cc1cccc(-c2cc(C(=O)CSCc3cc(CSCC(=O)c4ccc(O)c(-c5ccccc5CC(=O)O)c4)cc(CSCC(=O)c4ccc(O)c(-c5ccccc5CC(=O)O)c4)c3)ccc2O)c1 |
|
AD04500 | 2.89 | 282.25 | C16H10O5 | O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12 |