aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04161 | -0.48 | 381.81 | C15H24O7N3Cl | C=CCN(C(=O)N(CCCl)N=O)C1OC(CO)C(COC)C(O)C1O |
|
AD04162 | 0.48 | 201.16 | C7H8O3N3F | CCOC(=O)Nc1nc(=O)[nH]cc1F |
|
AD04163 | 1.31 | 238.23 | C12H8ON5 | O=C(Nc1ncnc2c1C=N[N]2)c1ccccc1 |
|
AD04164 | 1.13 | 275.7 | C13H10ON5Cl | Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1Cl)=C[N]2 |
|
AD04165 | 1.77 | 376.41 | C20H24O7 | COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2(O)CO)ccc1O |
|
AD04166 | 9.06 | 680.9 | C40H55O2N4F3 | CC1(C)CCC2(C(=O)NCc3cn(-c4ccc(C(F)(F)F)cc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD04167 | 3.89 | 752.9 | C41H56O11N2 | 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=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N |
|
AD04168 | 8.35 | 626.93 | C40H58O2N4 | Cc1ccc(-n2cc(CNC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1 |
|
AD04169 | -4.63 | 783.94 | C31H61O7N17 | N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC=O)C(=O)O |
|
AD04170 | 2.14 | 240.25 | C12H10ON5 | COc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |