aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17511 | 4.21 | 1748.7 | C88H96O22N14Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(=O)C(Cc4ccc(O)cc4)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(N)CC(C)C)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD17512 | 1.7 | 147.29 | C7H17NS | CNCCCCCCS |
|
AD17513 | 2.05 | 160.18 | C9H8ON2 | Cc1ccc(-c2ncon2)cc1 |
|
AD17514 | 3.24 | 226.28 | C15H14O2 | Cc1ccc(O)c(C(=O)c2ccccc2C)c1 |
|
AD17515 | 1.92 | 237.22 | C13H6N4F | Fc1cccc(C#Cc2ncnc3c2N=C[N]3)c1 |
|
AD17516 | 0.82 | 270.25 | C12H10O2N6 | Nc1c2c(nc[n+]1Cc1ccc([N+](=O)[O-])cc1)[N]C=N2 |
|
AD17517 | 0.73 | 186.2 | C9H8N5 | CCC#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD17518 | 1.64 | 264.23 | C13H12O6 | CC(=O)Oc1ccc(C=CC(=O)O)cc1OC(C)=O |
|
AD17519 | 1.84 | 733.0 | C37H72O10N4 | CCCCNC(=O)NCCCN1CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C |
|
AD17520 | 4.48 | 288.77 | C18H17O2Cl | CC1(C)COc2cc(Cc3ccccc3Cl)ccc2O1 |