aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02691 | -1.24 | 156.1 | C5H4O4N2 | O=C(O)c1c[nH]c(=O)[nH]c1=O |
|
AD02692 | -0.02 | 229.02 | C5H3ON5Br | Nc1nc2c(c(=O)[nH]1)N=C(Br)[N]2 |
|
AD02693 | 0.0 | 137.14 | C6H7ON3 | C=Cc1c[nH]c(=O)nc1N |
|
AD02694 | 7.47 | 388.68 | C27H48O | CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
|
AD02695 | -4.65 | 1622.93 | C76H123O20N19 | CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CCNC(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O |
|
AD02696 | -4.61 | 1778.13 | C84H136O22N20 | CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(N)=O |
|
AD02697 | 2.14 | 242.24 | C12H9N5F | Fc1cccc(CNc2ncnc3c2N=C[N]3)c1 |
|
AD02698 | 2.93 | 189.28 | C11H11NS | c1ccc(CCc2cscn2)cc1 |
|
AD02699 | 4.06 | 509.69 | C27H41O7S | CC(C)=CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C |
|
AD02700 | 4.65 | 432.65 | C27H44O4 | CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC21C |