aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05661 | 1.48 | 281.73 | C12H14ON6Cl | COCC1CCCN1Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD05662 | -1.63 | 997.81 | C29H42O20N7P3S3 | Cc1cn(C2CC(OCCn3c(=O)n(CCO)c(=O)n(CCOP(=O)(S)OC4CC(n5cc(C)c(=O)[nH]c5=O)OC4COP(=O)(O)S)c3=O)C(COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD05663 | 0.68 | 137.18 | C8H11ON | NCC(O)c1ccccc1 |
|
AD05664 | 0.58 | 215.19 | C10H7O2N4 | Nc1nc2c(c(=O)[nH]1)C(c1ccco1)=C[N]2 |
|
AD05665 | 3.56 | 1284.09 | C64H56O17N10Cl2 | NCCNCCNC(=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 |
|
AD05666 | 3.71 | 692.94 | C38H64O9N2 | C=COC1(C)CC(C)CN(Cc2ccccc2)C(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD05667 | 3.58 | 417.44 | C19H32O7NP | CCCCCCCCc1ccc(NCCOC(COP(=O)(O)O)C(=O)O)cc1 |
|
AD05668 | 3.25 | 616.66 | C26H35O6N6F3S | C=NOCc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21 |
|
AD05669 | 6.32 | 614.65 | C38H30O8 | COC(=O)Cc1cccc(-c2cc(C(=O)c3ccc(C(=O)c4ccc(O)c(-c5cccc(CC(=O)OC)c5)c4)cc3)ccc2O)c1 |
|
AD05670 | 0.22 | 388.19 | C11H15ON7I | Nc1ncnc2c1N=C(NCCCCNC(=O)CI)[N]2 |