aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05451 | 4.29 | 290.79 | C17H19ON2Cl | CCCCCOc1ccc(Cc2ccccc2Cl)nn1 |
|
AD05452 | 2.76 | 214.22 | C13H10O3 | O=C(O)c1cccc(-c2ccc(O)cc2)c1 |
|
AD05453 | 1.23 | 123.15 | C7H9ON | COCc1cccnc1 |
|
AD05454 | 2.39 | 339.77 | C16H12N8Cl | CNc1nc(-c2cn(Cc3cccc(Cl)c3)nn2)nc2c1N=C[N]2 |
|
AD05455 | 5.4 | 654.62 | C36H30O12 | Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)C2(C)OOC1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O |
|
AD05456 | 8.16 | 1338.22 | C70H66O17N8Cl2 | CCCCCCCCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD05457 | 2.05 | 195.21 | C11H7N4 | C1=Nc2c(ncnc2-c2ccccc2)[N]1 |
|
AD05458 | 0.11 | 146.14 | C6H10O4 | CC(=O)OCCOC(C)=O |
|
AD05459 | 1.39 | 215.34 | C12H25O2N | OCCCCCCCN1CCC(O)CC1 |
|
AD05460 | 3.7 | 1051.28 | C57H82O16N2 | CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)N4CCOCC4)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1 |