aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20911 | 3.12 | 374.38 | C20H16O3N5 | COc1cccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)c1 |
|
AD20912 | 0.4 | 168.19 | C9H12O3 | OCC1=CCC2C=COC(O)C12 |
|
AD20913 | -0.87 | 240.26 | C10H16O3N4 | CNCCC(=O)NC(Cc1c[nH]cn1)C(=O)O |
|
AD20914 | 3.62 | 357.4 | C20H17ON6 | Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)c1 |
|
AD20915 | 1.79 | 173.22 | C10H11N3 | Cc1ccc(-c2cn(C)nn2)cc1 |
|
AD20916 | 0.03 | 405.56 | C18H35O5N3S | CNC(=O)CCCCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO |
|
AD20917 | 0.36 | 169.58 | C6H4N5Cl | Nc1nc(Cl)nn2ccnc12 |
|
AD20918 | 0.6 | 256.38 | C11H20ON4S | CCn1cc(CNC(=O)C(N)CCSC)cn1 |
|
AD20919 | 2.53 | 412.44 | C23H24O7 | C=C(CO)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3O)O1 |
|
AD20920 | 6.84 | 1008.98 | C40H59O16N4P3S2 | CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21 |