aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04471 | -1.41 | 127.1 | C4H5O2N3 | Nc1cc[nH]c(=O)[n+]1[O-] |
|
AD04472 | 1.42 | 175.23 | C11H13ON | C#CCOc1ccc(CNC)cc1 |
|
AD04473 | 4.74 | 1325.14 | C67H59O18N9Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCCN1CCOCC1)NC3=O |
|
AD04474 | -1.86 | 429.17 | C10H13O12N3P2 | O=C1NC2C(O1)C(COP(=O)(O)OP(=O)(O)O)OC2n1ccc(=O)[nH]c1=O |
|
AD04475 | 4.58 | 1284.04 | C64H52O19N8Cl2 | CCOC(=O)CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD04476 | 0.86 | 163.22 | C10H13ON | CNC1c2ccccc2CC1O |
|
AD04477 | 2.53 | 352.39 | C20H20O4N2 | C=CC1C(O)OC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21 |
|
AD04478 | -0.5 | 1157.31 | C57H88O24 | CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC5C(=CCC6C5(C)CCC5C(C)(C)C(OC7OC(CO)C(O)C(O)C7OC7OCC(OC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C7O)C(O)CC56C)C3CC(C)(C)CC4 |
|
AD04479 | 2.02 | 297.34 | C15H17ON6 | COc1ccc(CC(C)Nc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD04480 | 5.58 | 518.59 | C27H39O6N2P | COP(=O)(NC(C(=O)OCC(C)(C)C)c1ccccc1)NC(C(=O)OCC(C)(C)C)c1ccccc1 |