aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12981 | -0.63 | 413.86 | C16H28O8N3Cl | COCCCN(C(=O)N(CCCl)N=O)C1OC(CO)C(COC)C(O)C1O |
|
AD12982 | -0.71 | 116.16 | C5H12ON2 | CN(C)CCNC=O |
|
AD12983 | 1.82 | 579.68 | C33H35O4N6 | [NH]C1CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)CNC1=O |
|
AD12984 | 2.05 | 268.3 | C14H14ON5 | COc1ccc(CCNc2ncnc3c2N=C[N]3)cc1 |
|
AD12985 | -2.43 | 302.33 | C12H22O5N4 | NC1CC=C(C=NO)OC1OC1C(N)CC(N)C(O)C1O |
|
AD12986 | 0.5 | 140.03 | C2H5O5P | COP(=O)(O)C(=O)O |
|
AD12987 | -0.83 | 296.33 | C8H12O6N2S2 | O=S(=O)(O)CNc1ccc(S(=O)(=O)NCO)cc1 |
|
AD12988 | 1.37 | 270.24 | C15H10O5 | O=C1c2ccccc2C(=O)c2c(O)c(CO)cc(O)c21 |
|
AD12989 | 3.65 | 346.5 | C20H32O2N3 | CCCCCCCC(=O)NCC(C)(C)[N+]([O-])=Cc1ccc(C[NH])cc1 |
|
AD12990 | -0.9 | 338.32 | C15H18O7N2 | COc1ccccc1NC(=O)C1=CC(O)C(O)C(OCC(N)=O)O1 |