aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44631 | 2.16 | 297.42 | C19H25ON2 | C[NH+](C)CCCN1c2ccccc2CCc2cc(O)ccc21 |
|
AD44632 | 1.19 | 168.15 | C7H8O3N2 | COc1ccc([N+](=O)[O-])cc1N |
|
AD44633 | 2.76 | 357.37 | C18H19O5N3 | O=C(OCc1ccc(O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 |
|
AD44634 | 3.91 | 493.62 | C29H37O5N2 | CC1CCCCN1Cc1c(O)c(C[NH+]2CCCCC2C)c(O)c2c(=O)c(-c3ccc(O)cc3)coc12 |
|
AD44635 | 2.49 | 494.63 | C29H38O5N2 | CC1CCCC[NH+]1Cc1c(O)c(C[NH+]2CCCCC2C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O |
|
AD44636 | 2.21 | 494.63 | C29H38O5N2 | CC1CCC[NH+](Cc2c(O)c(C[NH+]3CCCC(C)C3)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)C1 |
|
AD44637 | 2.94 | 300.2 | C10H6ONS2Br | O=C1NC(=S)SC1=Cc1ccc(Br)cc1 |
|
AD44638 | 2.73 | 247.34 | C12H9ONS2 | O=C1NC(=S)SC1=CC=Cc1ccccc1 |
|
AD44639 | 2.21 | 494.63 | C29H38O5N2 | CC1CC[NH+](Cc2c(O)c(C[NH+]3CCC(C)CC3)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)CC1 |
|
AD44640 | 2.49 | 494.63 | C29H38O5N2 | O=c1c(-c2ccc(O)cc2)coc2c(C[NH+]3CCCCCC3)c(O)c(C[NH+]3CCCCCC3)c(O)c12 |