aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14981 | 1.09 | 327.32 | C15H15O3N6 | Nc1nc(NCCc2ccc(OCC(=O)O)cc2)nc2c1N=C[N]2 |
|
AD14982 | 3.99 | 322.01 | C12H9N3Cl2Br | CC(C)NC1=Nc2c(cc(Cl)c(Cl)c2Br)[N]1 |
|
AD14983 | 2.07 | 473.05 | C7H11O15NP4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1cccc([N+](=O)[O-])c1 |
|
AD14984 | 2.91 | 351.13 | C12H8ON4I | Oc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1 |
|
AD14985 | 1.89 | 376.41 | C20H24O7 | COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1O |
|
AD14986 | -3.69 | 956.06 | C44H53O10N13S | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(SCc4ccccc4)oc3c2)NC1=O |
|
AD14987 | 11.96 | 736.22 | C46H89O5N | CCCCCCCCC=CCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC |
|
AD14988 | -1.56 | 132.16 | C5H12O2N2 | CNC(=O)C(N)C(C)O |
|
AD14989 | -5.87 | 479.53 | C19H37O9N5 | CNC1C(O)OC2CC(NC(=O)C(O)CCN)C(OC3C(N)CC(N)C(O)C3O)OC2C1O |
|
AD14990 | -1.41 | 376.32 | C14H20O10N2 | CC(=O)N(C(CCC(=O)O)C(=O)O)C(CCC(=O)O)C(=O)NCC(=O)O |