aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10001 | 2.29 | 260.81 | C14H25ON2Cl | CCCCCC1CNC(C(=O)NCC(C)Cl)C1 |
|
AD10002 | 0.25 | 240.25 | C12H10ON5 | Nc1nc([O-])c2c(n1)[N]C=[N+]2Cc1ccccc1 |
|
AD10003 | 1.9 | 309.37 | C17H19ON5 | CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C#N)CO)c1 |
|
AD10004 | 6.47 | 833.05 | C50H56O4N8 | COc1ccc2[nH]c3c(CNC=O)cc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8cc(CNC=O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 |
|
AD10005 | 0.51 | 188.17 | C8H6ON5 | C=CC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD10006 | 5.16 | 587.84 | C35H57O6N | CCCCNC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2 |
|
AD10007 | 3.87 | 660.74 | C37H42O10N | CCC1(O)CC(OC2CC([N+](C)(C)Cc3ccccc3)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC |
|
AD10008 | 2.57 | 390.43 | C21H26O7 | CC(=O)OC1CCC(=O)C2(CO)CCC3C(=O)OC(c4ccoc4)CC3(C)C12 |
|
AD10009 | 0.52 | 275.26 | C13H13O4N3 | COC(=O)c1cccc(CON=c2cc[nH]c(=O)[nH]2)c1 |
|
AD10010 | 4.15 | 504.71 | C30H48O6 | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |