aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40171 | -0.41 | 289.36 | C16H21O3N2 | O=C(NCCO)c1ccc2c(c1)C1(CC[NH2+]CC1)CC2=O |
|
AD40172 | -0.83 | 284.41 | C13H22O2N3S | O=C(NCCO)C(c1ccsc1)N1CCC[NH2+]CC1 |
|
AD40173 | -0.35 | 285.39 | C13H21O3N2S | COc1ccc(CSCC([NH3+])C(=O)NCCO)cc1 |
|
AD40174 | -0.1 | 304.37 | C16H22O3N3 | [NH3+]C1CCN(C(C(=O)NCCO)c2cc3ccccc3o2)C1 |
|
AD40175 | -0.21 | 293.39 | C16H25O3N2 | COc1ccccc1C1(CC(=O)NCCO)CC[NH2+]CC1 |
|
AD40176 | -0.41 | 295.36 | C15H23O4N2 | CC1(C)OCc2cc(CC([NH3+])C(=O)NCCO)ccc2O1 |
|
AD40177 | 0.13 | 281.38 | C15H25O3N2 | CC(C)(C)Oc1ccc(CC([NH3+])C(=O)NCCO)cc1 |
|
AD40178 | -0.08 | 281.35 | C15H22O2N2F | O=C(CC1(c2ccccc2F)CC[NH2+]CC1)NCCO |
|
AD40179 | -0.59 | 292.4 | C16H26O2N3 | Cc1ccc(C(C(=O)NCCO)N2CCC[NH2+]CC2)cc1 |
|
AD40180 | -0.18 | 281.35 | C15H22O2N2F | O=C(NCCO)C1(Cc2ccccc2F)CC[NH2+]CC1 |