aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17801 | 3.04 | 291.74 | C13H8ON4ClS | Oc1nc(SCc2ccccc2Cl)nc2c1N=C[N]2 |
|
AD17802 | 3.18 | 298.29 | C17H14O5 | COc1ccc(-c2cc(=O)oc3cc(OC)cc(O)c23)cc1 |
|
AD17803 | 1.21 | 307.35 | C15H21O4N3 | CC=C(C)C(=O)Nc1ccn(C2CCC(O)C(C)O2)c(=O)n1 |
|
AD17804 | 0.34 | 297.3 | C14H13O2N6 | Nc1ncnc2c1N=C(c1ccc(CC(N)C(=O)O)cc1)[N]2 |
|
AD17805 | 3.51 | 358.38 | C20H16O2N5 | CC(=O)Nc1nc2c(c(OC(c3ccccc3)c3ccccc3)n1)N=C[N]2 |
|
AD17806 | 2.08 | 889.11 | C46H68O8N10 | CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(N)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-] |
|
AD17807 | -0.34 | 651.66 | C22H47O11N5P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCN(C)C |
|
AD17808 | 2.09 | 173.22 | C10H11N3 | Cc1cc(C)cc(-c2nc[nH]n2)c1 |
|
AD17809 | 11.11 | 740.17 | C46H81O4N3 | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)c1cnn(CCCc2ccc(CCCC)cc2)c1 |
|
AD17810 | 1.64 | 128.24 | C8H18N | C[N+](C)(C)C1CCCC1 |