aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20451 | 1.81 | 337.32 | C16H13O3N6 | CCNc1nc(C#CC(O)c2cccc([N+](=O)[O-])c2)nc2c1N=C[N]2 |
|
AD20452 | 0.0 | 247.25 | C12H13O3N3 | O=CNCCC(=O)Nc1cccc2c1CNC2=O |
|
AD20453 | 0.21 | 207.25 | C7H13O4NS | COS(=O)(=O)NC(=O)C=CC(C)C |
|
AD20454 | -3.47 | 204.18 | C7H12O5N2 | NC1=NC2C(O1)C(O)C(O)C2(O)CO |
|
AD20455 | 7.1 | 1377.23 | C68H63O20N7Cl2S | CCCCCCCCS(=O)(=O)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)O)NC3=O |
|
AD20456 | 1.75 | 235.31 | C16H15N2 | CCc1ccc(CC2=c3ccccc3=N[N]2)cc1 |
|
AD20457 | 1.46 | 224.3 | C13H20O3 | CC1=CC(=O)CC(C)(C)C1C=CC(O)CO |
|
AD20458 | 3.16 | 532.63 | C29H40O9 | C=CC(C)(O)CCC=C(C)C(=O)OC12C=COC(O)C1C1(C)OC1C2OC(=O)C(C)=CCCC(C)=CCO |
|
AD20459 | 2.06 | 184.62 | C10H9O2Cl | COC(=O)Cc1ccccc1Cl |
|
AD20460 | 1.81 | 311.47 | C17H33O2N3 | CN(CCC(N)C(=O)O)C1CC(NCCCC2CCCC2)C1 |