aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10511 | 2.22 | 157.26 | C9H19ON | CCCCCCCCC(N)=O |
|
AD10512 | 3.85 | 298.41 | C17H24N5 | CCCCCCCCCCC#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD10513 | -0.5 | 117.15 | C5H11O2N | CNC(=O)CCCO |
|
AD10514 | 1.75 | 142.18 | C6H6O2S | Cc1ccc(C(=O)O)s1 |
|
AD10515 | 5.87 | 1380.26 | C71H68O17N10Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCCN1CCCCNCCCC1)NC3=O |
|
AD10516 | -10.67 | 1284.41 | C48H89O15N27 | CC(NC(=O)C(CNC(=O)C(CNC=O)C(=O)O)C(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O |
|
AD10517 | 2.02 | 616.84 | C32H60O9N2 | CCC1NC2C(C)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O1)C2C |
|
AD10518 | -0.03 | 202.2 | C9H8ON5 | COCC#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD10519 | 1.65 | 191.27 | C12H17ON | OCCNC1CCCc2ccccc21 |
|
AD10520 | 2.25 | 202.17 | C10H5ON3F | FC1=C[N]c2ncnc(-c3ccoc3)c21 |