aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16331 | 1.84 | 216.29 | C12H16N4 | CCN(Cc1ccccc1)c1cn(C)nn1 |
|
AD16332 | 0.57 | 221.28 | C8H15O4NS | COS(=O)(=O)NC(=O)C1CCCCC1 |
|
AD16333 | 4.19 | 1270.01 | C63H50O19N8Cl2 | COC(=O)CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD16334 | -3.13 | 192.17 | C6H12O5N2 | NC(CO)C(=O)NC(CO)C(=O)O |
|
AD16335 | 0.88 | 416.39 | C19H20O7N4 | O=C(Cc1ccc([N+](=O)[O-])cc1)NCC(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 |
|
AD16336 | -1.06 | 392.5 | C20H32O4N4 | NC1CC=C(CNCCc2ccccc2)OC1OC1C(N)CC(N)C(O)C1O |
|
AD16337 | -3.43 | 303.36 | C12H25O4N5 | NNCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1 |
|
AD16338 | 0.65 | 231.21 | C11H8ON4F | NC(=O)C1=N[N]C(C=Cc2ccc(F)cc2)=N1 |
|
AD16339 | 3.4 | 575.18 | C31H51O8Cl | C=C(CCCO)C(O)C(O)C1CC(O)C(O)C(C(O)C(O)C=CCCCCCCCCCCC=CC=CCl)O1 |
|
AD16340 | -0.63 | 413.86 | C16H28O8N3Cl | COCC1C(CO)OC(N(C(=O)N(CCCl)N=O)C(C)COC)C(O)C1O |