aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00631 | 2.47 | 171.28 | C10H21ON | CC(C)CCCCCCC(N)=O |
|
AD00632 | 5.75 | 1311.15 | C67H61O17N9Cl2 | CN(C)CCCCCNC(=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 |
|
AD00633 | 1.84 | 159.19 | C10H9ON | Cc1c[nH]c(=O)c2ccccc12 |
|
AD00634 | 1.71 | 239.26 | C13H11ON4 | COc1ccc(C2=C[N]c3ncnc(N)c32)cc1 |
|
AD00635 | 4.36 | 216.39 | C12H24OS | CCCCCCCCCCCC(=O)S |
|
AD00636 | 0.28 | 157.16 | C8H5N4 | C#CC1=C[N]c2ncnc(N)c21 |
|
AD00637 | 2.4 | 1143.94 | C55H52O17N8Cl2 | 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)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD00638 | 4.07 | 535.6 | C29H33O7N3 | Cc1ccc(C(=O)Nc2cccc(CNC3(C)CC(O)OC(C)C3O)c2)c([N+](=O)[O-])c1OCc1ccccc1 |
|
AD00639 | 2.37 | 275.26 | C14H13O5N | O=[N+]([O-])c1ccc(COc2ccc(O)c(CO)c2)cc1 |
|
AD00640 | -0.81 | 159.23 | C7H17ON3 | CNC(=O)C(N)CCCCN |