aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01421 | 1.48 | 296.32 | C14H20O5N2 | COc1ccc(C(=O)NCCCCNC(=O)O)cc1OC |
|
AD01422 | 1.66 | 283.27 | C13H11O2N6 | Nc1nc(CCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2 |
|
AD01423 | 1.04 | 259.03 | C6H4N4I | Nc1ncnc2c1C(I)=C[N]2 |
|
AD01424 | -1.7 | 2203.82 | C107H136O29N21Cl | CCCCCC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD01425 | 3.94 | 246.72 | C13H7N2ClS | N#Cc1ccc(-c2ccc(Cl)cc2)[nH]c1=S |
|
AD01426 | 2.13 | 792.96 | C39H68O16 | CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CC |
|
AD01427 | 3.63 | 264.92 | C9H2N2Cl2Br | Clc1cc2c(cc1Cl)N=C(Br)[N]2 |
|
AD01428 | 3.25 | 328.36 | C19H20O5 | CCc1cc(O)c(C(=O)CCc2ccc3c(c2)OCCO3)c(O)c1 |
|
AD01429 | 2.0 | 224.25 | C12H10N5 | C1=Nc2c(ncnc2NCc2ccccc2)[N]1 |
|
AD01430 | 4.12 | 319.39 | C18H13ON3S | Oc1c(C=C2C=Nc3ccccc32)nc(S)n1-c1ccccc1 |