aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01001 | 2.88 | 294.34 | C16H16ON5 | COc1ccc2c(c1)C(Nc1ncnc3c1N=C[N]3)CCC2 |
|
AD01002 | -1.75 | 563.41 | C19H26O13N5P | COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(=O)CNC(=O)c2ccc(N=[N+]=[N-])cc2)C(C(O)C(O)CO)O1 |
|
AD01003 | 2.88 | 264.31 | C15H14N5 | C1=Nc2c(ncnc2NC2CCCc3ccccc32)[N]1 |
|
AD01004 | 2.78 | 408.41 | C22H20O6N2 | C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12 |
|
AD01005 | -0.05 | 226.18 | C10H10O6 | O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12 |
|
AD01006 | 2.69 | 330.38 | C19H22O5 | O=C(CCc1ccc(O)c(O)c1)CC(O)CCc1cccc(O)c1 |
|
AD01007 | 5.88 | 472.71 | C30H48O4 | CC1(C)CCC23C(=O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1 |
|
AD01008 | 1.59 | 279.38 | C16H25O3N | CCc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1 |
|
AD01009 | 1.48 | 1217.04 | C58H59O18N9Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCO)c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD01010 | 1.59 | 169.16 | C8H8O2NF | O=C(O)NCc1ccc(F)cc1 |