aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11101 | 0.37 | 229.24 | C12H11O2N3 | NC(=O)C1=CNC=CC1C(=O)c1ccncc1 |
|
AD11102 | 3.6 | 316.35 | C18H20O5 | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O |
|
AD11103 | 1.44 | 198.65 | C10H11ON2Cl | CC(Cl)CNC(=O)c1cccnc1 |
|
AD11104 | -8.3 | 1054.24 | C40H79O9N25 | N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCNC=O)C(=O)O |
|
AD11105 | 0.9 | 184.59 | C7H5ON4Cl | Nc1nnc(O)c2[nH]cc(Cl)c12 |
|
AD11106 | 4.03 | 652.78 | C33H52O11N2 | CCOC(=O)C=CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(NN(C(=O)OCC)C(=O)OCC)C(C)C1O |
|
AD11107 | 4.7 | 446.63 | C27H42O5 | CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)OC3(C)C1C2C |
|
AD11108 | 0.4 | 149.13 | C6H5ON4 | Cc1nc(O)c2c(n1)[N]C=N2 |
|
AD11109 | 1.76 | 206.25 | C11H14O2N2 | CC(C)C=NNC(=O)c1ccc(O)cc1 |
|
AD11110 | -0.29 | 801.9 | C41H51O10N7 | COC(=O)C(C)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1 |