aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13541 | 1.42 | 521.66 | C27H43O7N3 | COC1C(O)CC(=O)OC(CC=Cc2ccc(N)nc2)CCCN(C)CC(O)C(C)CC(CC=O)C1O |
|
AD13542 | -1.41 | 176.12 | C6H8O6 | O=C1OC(C(O)CO)C(O)=C1O |
|
AD13543 | 3.77 | 479.45 | C26H17O5N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccnc1 |
|
AD13544 | 4.93 | 529.51 | C30H19O5N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccnc2ccccc12 |
|
AD13545 | 3.96 | 612.76 | C34H48O8N2 | CCC(=O)OC1CC(=O)OC(CC=Cc2ccnc3ccccc23)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD13546 | 3.03 | 211.31 | C9H9ONS2 | COc1ccc2sc(SC)nc2c1 |
|
AD13547 | 2.05 | 128.56 | C7H5OCl | Oc1ccccc1Cl |
|
AD13548 | 0.7 | 113.16 | C6H11ON | C=CCCCNC=O |
|
AD13549 | -0.44 | 125.11 | C4H5ON4 | CNC(=O)C1=C[N]N=N1 |
|
AD13550 | 12.54 | 716.19 | C46H85O4N | CCCCCCC=CCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CC=CCCCCCCC |