aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00811 | 1.72 | 238.24 | C11H14O4N2 | CC(NCCC(=O)O)c1ccc([N+](=O)[O-])cc1 |
|
AD00812 | 4.84 | 329.49 | C20H31ON3 | OCCCCCCCCCCCCn1cc(-c2ccccc2)nn1 |
|
AD00813 | -4.54 | 580.77 | C26H56O8N6 | CN(CCCCCCN(C)CC(O)COC1C(O)C(N)CC(N)C1O)CC(O)COC1C(O)C(N)CC(N)C1O |
|
AD00814 | 1.68 | 291.3 | C14H11N8 | CNc1nc(-n2cc(-c3ccccc3)nn2)nc2c1N=C[N]2 |
|
AD00815 | 6.38 | 537.01 | C30H27O2N4F2Cl | CC1CCCC(N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O |
|
AD00816 | 1.86 | 585.61 | C30H35O11N | CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC |
|
AD00817 | 2.09 | 274.36 | C16H22O2N2 | O=CN(CC(=O)NC1CCCCC1)Cc1ccccc1 |
|
AD00818 | 3.1 | 496.73 | C29H52O6 | CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O |
|
AD00819 | 2.08 | 512.73 | C29H52O7 | CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O |
|
AD00820 | -0.74 | 156.1 | C4H4O3N4 | Nc1nc(=O)[nH]cc1[N+](=O)[O-] |