aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38851 | -1.6 | 298.41 | C15H28O3N3 | CC(=O)N1CCC([NH+]2CCC(C(=O)NCCO)CC2)CC1 |
|
AD38852 | -1.29 | 315.38 | C15H21ON7 | O=C(C[NH+]1CCCC1)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD38853 | -0.96 | 289.36 | C15H21O2N4 | O=C(NCCO)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 |
|
AD38854 | -0.74 | 292.36 | C15H22O3N3 | [NH3+]C1CCN(C(=O)c2ccc(C(=O)NCCO)cc2)CC1 |
|
AD38855 | -0.77 | 281.33 | C14H21O4N2 | [NH3+]C(CCC(=O)OCc1ccccc1)C(=O)NCCO |
|
AD38856 | 1.05 | 261.39 | C16H25ON2 | c1ccc(COCC2CCC3(CC[NH2+]CC3)N2)cc1 |
|
AD38857 | -0.11 | 253.37 | C14H25O2N2 | CCOC(=O)C12CCC3(CC[NH2+]CC3)C1CNC2 |
|
AD38858 | -2.35 | 187.18 | C6H11O3N4 | [NH3+]CCONc1c[nH]c(=O)[nH]c1=O |
|
AD38859 | -1.09 | 237.29 | C8H11N7S | [NH3+]CCNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD38860 | -1.94 | 120.2 | C3H10N3S | NC(=S)NCC[NH3+] |