aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06511 | 3.77 | 479.45 | C26H17O5N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccccn1 |
|
AD06512 | -1.63 | 146.15 | C5H10O3N2 | O=C1NCCC(C(O)O)N1 |
|
AD06513 | 3.61 | 572.7 | C32H44O9 | CC(=O)OC1CCC2(C)C3CC(O)C4(C)C5C(CC4(CO)C3=CCC2C1(C)C(=O)O)OC(=O)C5CC(=O)C=C(C)C |
|
AD06514 | -4.94 | 877.82 | C30H33O19N6S3 | O=C(COCCOCC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12)NCCNC(=O)C1CC(O)C(O)C(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C1 |
|
AD06515 | -1.49 | 226.19 | C8H10O4N4 | NC(CC(=O)Nc1cc[nH]c(=O)n1)C(=O)O |
|
AD06516 | 4.76 | 560.82 | C33H56O5N2 | CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CCCCC2)CC(C)C(=O)C=CC(C)=CC1CN1CCCCC1 |
|
AD06517 | 1.86 | 354.43 | C16H22O5N2S | COC(=O)CC=CC(C)C(C=NO)NS(=O)(=O)c1ccc(C)cc1 |
|
AD06518 | 2.38 | 245.23 | C13H11O4N | O=[N+]([O-])c1ccc(C(O)c2ccc(O)cc2)cc1 |
|
AD06519 | 2.53 | 343.37 | C19H15ON6 | O=C(CNc1ncnc2c1C(c1ccccc1)=N[N]2)Nc1ccccc1 |
|
AD06520 | 3.61 | 772.42 | C40H66O10N3Cl | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCCc2ccccc2Cl)C1(C)O |