aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40761 | 0.47 | 281.4 | C14H21O2N2S | O=S(=O)(NC1CCC12CC[NH2+]CC2)c1ccccc1 |
|
AD40762 | 0.16 | 284.34 | C16H18O2N3 | C[NH+](C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O |
|
AD40763 | 0.39 | 284.42 | C15H30O2N3 | CC(C)(C)OC(=O)N1CCC([NH+]2CCC(N)CC2)CC1 |
|
AD40764 | 1.4 | 287.39 | C16H23ON4 | Cn1nc(-c2ccc(C[NH3+])cc2)cc(NC(C)(C)C)c1=O |
|
AD40765 | 0.23 | 315.42 | C14H23O4N2S | COC(=O)C(CCCC[NH3+])NS(=O)(=O)c1ccc(C)cc1 |
|
AD40766 | 1.26 | 291.4 | C15H19O2N2S | CS(=O)(=O)NC(c1ccccc1)C([NH3+])c1ccccc1 |
|
AD40767 | 0.01 | 334.47 | C17H24O2N3S | CC(=O)N1C(C(N)=O)CSC12CC[NH+](Cc1ccccc1)CC2 |
|
AD40768 | -0.22 | 298.41 | C15H28O3N3 | CC(C)(C)OC(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)C1 |
|
AD40769 | -0.94 | 307.33 | C15H19O5N2 | COc1ccc2c(CC([NH3+])C(=O)NCCO)cc(=O)oc2c1 |
|
AD40770 | 0.03 | 328.12 | C9H9N6I | Ic1nc2c(c(N=C3CC[NH2+]C3)n1)N=C[N]2 |