aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21621 | 2.6 | 318.77 | C14H9ON5ClS | Nc1nc2c(c(SCC(=O)c3ccc(Cl)cc3)n1)N=C[N]2 |
|
AD21622 | 0.02 | 324.33 | C16H20O7 | O=C(OC1CC(O)(CO)C2C(O)OCCC12)c1ccc(O)cc1 |
|
AD21623 | 4.96 | 256.31 | C18H12N2 | c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21 |
|
AD21624 | -3.32 | 204.27 | C8H20O2N4 | NCCNC1C(O)C(N)CC(N)C1O |
|
AD21625 | -0.39 | 538.41 | C15H28O13N2P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O |
|
AD21626 | 3.27 | 276.29 | C13H8N3F2S | Fc1ccc(CSc2ncnc3c2C=C[N]3)c(F)c1 |
|
AD21627 | 0.36 | 169.58 | C6H4N5Cl | Nc1c(Cl)cnn2cnnc12 |
|
AD21628 | -2.36 | 996.22 | C46H81O13N11 | CC(=O)NCCCCC(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD21629 | 2.99 | 358.39 | C19H16ON7 | Nc1nc(NN=Cc2cccc(OCc3ccccc3)c2)nc2c1N=C[N]2 |
|
AD21630 | 5.24 | 314.86 | C21H23OCl | C=CCOCCc1ccc(Cc2ccc(CC)cc2)c(Cl)c1 |