aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08041 | 1.88 | 396.46 | C18H18O2N7S | COc1ccc2[nH]cc(CCNC(=O)CSC3=Nc4c(N)ncnc4[N]3)c2c1 |
|
AD08042 | 2.45 | 244.25 | C14H12O4 | O=C(OCc1cc(O)ccc1O)c1ccccc1 |
|
AD08043 | -2.54 | 685.78 | C33H47O9N7 | CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(=O)NC(CO)C(N)=O |
|
AD08044 | 1.47 | 145.17 | C8H7N3 | c1ccc(-c2nc[nH]n2)cc1 |
|
AD08045 | -0.16 | 215.24 | C3H10O2N3PS2 | COP(=S)(NNC(N)=S)OC |
|
AD08046 | 3.73 | 260.28 | C15H10N5 | Nc1nc(-c2ccc3ccccc3c2)cc2c1N=N[N]2 |
|
AD08047 | -4.6 | 1091.29 | C43H64O11N17S3 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(N)=O)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD08048 | 1.13 | 268.32 | C14H16N6 | Cn1cc(Cc2ccc(Cc3cn(C)nn3)cc2)nn1 |
|
AD08049 | 1.68 | 562.7 | C28H50O11 | CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(CO)C(O)C3O)C2O |
|
AD08050 | 10.84 | 774.18 | C46H83O6N3 | CCCCCCCCCCCCCCC(O)C(O)C(CO)n1cc(COCCCCCCCCCCCCOCCCCCCOCc2ccccc2)nn1 |