aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17851 | 4.66 | 1281.0 | C63H47O19N9Cl2 | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc(CO)nn1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD17852 | 4.4 | 397.29 | C20H7O2N3F4 | O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1[nH]c3cc(F)c(F)cc3c21 |
|
AD17853 | -0.15 | 175.23 | C8H17O3N | COC1C(C)OC(O)CC1(C)N |
|
AD17854 | -1.43 | 787.93 | C31H45O6N15S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(O)nc(N)nc21 |
|
AD17855 | 2.56 | 237.37 | C12H19N3S | c1sc(N2CCCCC2)nc1C1CCCN1 |
|
AD17856 | 0.22 | 290.3 | C10H14O6N2S | COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCO |
|
AD17857 | -3.98 | 365.34 | C8H15O11NS2 | COCC1OC(COS(=O)(=O)[O-])C(O)C(O)C1NS(=O)(=O)[O-] |
|
AD17858 | -4.5 | 444.39 | C8H14O14NS3 | COCC1OC(COS(=O)(=O)[O-])C(O)C(OS(=O)(=O)[O-])C1NS(=O)(=O)[O-] |
|
AD17859 | 1.98 | 270.21 | C9H13O3N5P | CCOP(=O)(Nc1ncnc2c1N=C[N]2)OCC |
|
AD17860 | -0.52 | 392.55 | C20H36O2N6 | CN(C)CCC(N)C(=O)NCc1cccc(CNC(=O)C(N)CCN(C)C)c1 |