aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06981 | 0.7 | 189.2 | C9H9ON4 | CC(=O)CNc1ncnc2c1C=C[N]2 |
|
AD06982 | 1.46 | 144.12 | C7H6OF2 | OCc1ccc(F)c(F)c1 |
|
AD06983 | -1.48 | 180.22 | C6H12O4S | CC1SC(O)C(O)C(O)C1O |
|
AD06984 | 0.03 | 126.11 | C5H6O2N2 | CNC(=O)c1ccno1 |
|
AD06985 | 9.24 | 692.78 | C39H54O3N3Br | CC1(C)CCC2(C(=O)OCc3cn(-c4ccccc4Br)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD06986 | 2.71 | 286.36 | C15H20ON5 | Nc1nc(OC2CCC3CCCCC3C2)nc2c1N=C[N]2 |
|
AD06987 | 4.08 | 494.46 | C27H18O6N4 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc(O)cc1 |
|
AD06988 | 4.38 | 478.46 | C27H18O5N4 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccccc1 |
|
AD06989 | 1.46 | 221.26 | C12H15O3N | CNC(=O)C=Cc1ccc(OC)c(OC)c1 |
|
AD06990 | 4.84 | 792.97 | C44H60O11N2 | COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=CC(C)=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N |