aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14671 | 2.45 | 197.24 | C13H11ON | NC(=O)c1ccc(-c2ccccc2)cc1 |
|
AD14672 | 2.5 | 118.24 | C6H14S | CCCCCCS |
|
AD14673 | 1.88 | 152.13 | C5H13O3P | CCOP(C)(=O)OCC |
|
AD14674 | -1.66 | 2223.81 | C109H132O29N21Cl | Cc1ccccc1C(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD14675 | 1.08 | 123.15 | C7H9ON | NOCc1ccccc1 |
|
AD14676 | 0.84 | 633.71 | C32H39O7N7 | CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O)C(C)C |
|
AD14677 | 10.32 | 612.04 | C38H77O4N | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCC |
|
AD14678 | -1.95 | 224.24 | C9H14O2N5 | OCCN(CCO)C1=NCNC2=C1N=C[N]2 |
|
AD14679 | 5.14 | 557.36 | C27H17O5N4Br | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc(Br)cc1 |
|
AD14680 | 1.97 | 513.05 | C26H33O2N8Cl | NCCOCCOCCN1CCN(c2ccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)cc2)CC1 |