aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13941 | -1.04 | 134.12 | C6H4ON3 | C#CC1=C(C(N)=O)N=C[N]1 |
|
AD13942 | 1.09 | 170.6 | C8H7ON2Cl | CNC(=O)c1cccnc1Cl |
|
AD13943 | 0.49 | 231.68 | C10H14O2N3Cl | Cc1nn(C)c(Cl)c1C(=O)NCCCO |
|
AD13944 | 1.85 | 549.49 | C28H23O11N | COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(O)C3O)C2=O |
|
AD13945 | 2.13 | 150.18 | C9H10O2 | CC=Cc1ccc(O)c(O)c1 |
|
AD13946 | -6.99 | 619.63 | C23H41O11N9 | CC(=O)NC1C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(N)CCCN=C(N)N)OC(CO)C(O)C1O |
|
AD13947 | 3.21 | 368.35 | C21H12O3N4 | O=CNN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O |
|
AD13948 | 0.29 | 127.07 | C3H4ONF3 | O=CNCC(F)(F)F |
|
AD13949 | 3.97 | 486.61 | C30H34O4N2 | CC12CCC3c4ccc(O)cc4CCC3C1CCC2(O)C#CCCCCC#Cc1c[nH]c(=O)[nH]c1=O |
|
AD13950 | 5.39 | 314.51 | C19H38O3 | CCCCCCC(O)CCCCCCCCCCC(=O)OC |