aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03241 | 0.9 | 154.1 | C4H11O4P | CCCCOP(=O)(O)O |
|
AD03242 | -0.17 | 1385.98 | C69H85O14N16Cl | CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NNC(N)=O |
|
AD03243 | -0.3 | 163.16 | C6H7N6 | CN(N)c1ncnc2c1N=C[N]2 |
|
AD03244 | 0.48 | 322.45 | C12H22O4N2S2 | O=C(CCS)NCCCCC(NC(=O)CCS)C(=O)O |
|
AD03245 | 10.35 | 554.9 | C34H66O5 | CCCCCCCCCCCCCCCC(=O)OC(CO)OC(=O)CCCCCCCCCCCCCCC |
|
AD03246 | 1.32 | 1677.97 | C77H72O21N15Cl3S2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCON=C(C(=O)NC4C(=O)N5C(C(=O)[O-])=C(C[n+]6ccccc6)CSC45)c4nc(N)sc4Cl)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD03247 | 3.65 | 230.39 | C14H30O2 | CCCCCCCCCCCC(O)CCO |
|
AD03248 | 1.77 | 286.33 | C10H10O4N2S2 | O=S(=O)(O)ON=C(S)Cc1c[nH]c2ccccc12 |
|
AD03249 | 4.33 | 532.72 | C31H48O7 | COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD03250 | -3.89 | 236.27 | C9H20O5N2 | NC1CC(NC(CO)CO)C(O)C(O)C1O |