aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10071 | 3.13 | 287.39 | C15H23N6 | Nc1nc(NCCCCC2CCCCC2)nc2c1N=C[N]2 |
|
AD10072 | 2.19 | 404.42 | C21H24O8 | COc1cc(CC2C(=O)OCC2C(O)c2cc(OC)c(O)c(OC)c2)ccc1O |
|
AD10073 | 5.94 | 1519.16 | C78H100O19N11Cl | CCCCCCCCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(=O)NC(=O)C(CC(C)C)NC)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(C)(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD10074 | -0.83 | 165.21 | C5H11O3NS | C[S+]([O-])CCC(N)C(=O)O |
|
AD10075 | 4.09 | 368.39 | C21H20O6 | COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1 |
|
AD10076 | 6.86 | 391.56 | C26H33O2N | CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)Nc1ccc(O)cc1 |
|
AD10077 | 3.37 | 218.32 | C12H14N2S | Cc1nc(NCc2ccccc2)sc1C |
|
AD10078 | -4.22 | 1101.29 | C45H68O11N18S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC=O)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD10079 | 1.03 | 198.21 | C10H8N5 | Nc1ncnc2c1C(c1cc[nH]c1)=C[N]2 |
|
AD10080 | 6.97 | 651.04 | C37H74O3N6 | CCCCCCCCCCCCCC(=O)NCC(NC(=O)CCCCCCCCCCCCC)C(=O)NCCN(CC[NH])CC[NH] |