aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17671 | 4.08 | 238.21 | C13H9OF3 | Oc1ccccc1-c1cccc(C(F)(F)F)c1 |
|
AD17672 | 1.63 | 173.22 | C10H11N3 | Cc1cn(Cc2ccccc2)nn1 |
|
AD17673 | 2.18 | 179.61 | C10H6ONCl | O=c1[nH]ccc2cc(Cl)ccc12 |
|
AD17674 | 3.35 | 365.19 | C12H7O2N5SBr | O=[N+]([O-])c1ccc(CSc2nc(Br)nc3c2N=C[N]3)cc1 |
|
AD17675 | 3.3 | 323.38 | C17H19ON6 | CC1(C)c2ccc(Nc3ncnc4c3N=C[N]4)cc2C(C)(C)N1O |
|
AD17676 | 6.63 | 771.05 | C45H70O10 | CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)C(OC(=O)CC(C)C)C2O |
|
AD17677 | 4.23 | 367.82 | C19H16ON6Cl | CCCCC#Cc1nc2c(c(NC(=O)Nc3cccc(Cl)c3)n1)N=C[N]2 |
|
AD17678 | -2.54 | 811.98 | C37H65O11N9 | CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD17679 | 5.51 | 504.75 | C31H52O5 | CCC(C(C)C)C(O)CC(C)C1C(OC(C)=O)C(O)C2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD17680 | 3.16 | 374.23 | C18H16O3NBr | CC(=O)CC1(O)C(=O)N(Cc2ccc(Br)cc2)c2ccccc21 |