aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20101 | -0.93 | 189.26 | C8H19O2N3 | CN(CCCN)CCC(N)C(=O)O |
|
AD20102 | 1.56 | 278.35 | C15H22O3N2 | COC(=O)c1cccc(CN(C)CCCCC(N)=O)c1 |
|
AD20103 | 1.99 | 323.3 | C14H11O2N8 | Nc1nc(NN=CC=Cc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2 |
|
AD20104 | 2.08 | 1244.07 | C59H60O18N10Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCNC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD20105 | 3.28 | 367.2 | C12H8N4SI | Ic1ccccc1CSc1ncnc2c1N=C[N]2 |
|
AD20106 | -0.48 | 131.13 | C5H9O3N | C=NC(C(=O)O)C(C)O |
|
AD20107 | -2.55 | 604.79 | C28H56O8N6 | NC1CC(N)C(O)C(OCCCCCCNC(=O)CCC(=O)NCCCCCCOC2C(O)C(N)CC(N)C2O)C1O |
|
AD20108 | 1.65 | 268.26 | C13H10O2N5 | COc1ccccc1C(=O)Nc1ncnc2c1N=C[N]2 |
|
AD20109 | 2.38 | 406.52 | C23H34O6 | CC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O |
|
AD20110 | 3.77 | 172.31 | C11H24O | CCCCCCCCCCOC |