aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09651 | 2.17 | 216.27 | C11H14N5 | CCCCC=Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD09652 | -16.78 | 4908.4 | C220H325O71N55S | CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CSC1CC(=O)N(CCOCCOCCOCc2cn(CCO)nn2)C1=O)C(=O)O |
|
AD09653 | 0.94 | 86.13 | C5H10O | C=C(C)CCO |
|
AD09654 | 1.62 | 166.22 | C10H14O2 | COc1ccc(CCCO)cc1 |
|
AD09655 | 1.45 | 190.23 | C9H12N5 | CC(C)CNc1ncnc2c1N=C[N]2 |
|
AD09656 | 0.71 | 253.25 | C12H9ON6 | O=C(NCc1ncnc2c1N=C[N]2)c1cccnc1 |
|
AD09657 | 1.93 | 424.49 | C22H32O8 | COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C1O |
|
AD09658 | -0.18 | 77.04 | CH3O3N | CO[N+](=O)[O-] |
|
AD09659 | 1.73 | 107.16 | C7H9N | CNc1ccccc1 |
|
AD09660 | 1.96 | 306.31 | C16H12O2N5 | CONc1nc(C#Cc2ccc(C(C)=O)cc2)nc2c1N=C[N]2 |