aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13331 | 2.14 | 187.14 | C8H7O2NF2 | COC(=O)Nc1ccc(F)cc1F |
|
AD13332 | 2.05 | 173.12 | C7H5O2NF2 | O=C(O)Nc1ccc(F)cc1F |
|
AD13333 | 4.15 | 301.8 | C16H12N3ClS | Cc1cccc(-c2nnc(Cc3ccccc3Cl)s2)n1 |
|
AD13334 | 9.22 | 869.07 | C45H68O11N6 | CC(C)CC(Nc1cc(ON=[N+]([O-])N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C |
|
AD13335 | -4.71 | 1766.12 | C83H136O22N20 | CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CCCNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(N)=O |
|
AD13336 | 2.08 | 247.66 | C14H8O3Cl | O=C([O-])c1ccc(-c2ccc(O)cc2Cl)cc1 |
|
AD13337 | -0.41 | 553.57 | C27H31O8N5 | CC(NC(=O)CO)C(=O)NC(CCC(=O)OCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(N)=O |
|
AD13338 | 2.0 | 330.34 | C18H18O6 | COC(c1ccc(O)c(O)c1)C(O)CC#Cc1ccc(O)c(O)c1 |
|
AD13339 | 0.3 | 225.2 | C10H11O5N | COc1ccc2c(c1)OC(O)C(=O)N2OC |
|
AD13340 | 2.99 | 657.03 | C35H25O10N2Cl | C=C1Oc2cc(OC)cc(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34O)c2NC1=O |