aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20811 | -2.68 | 417.46 | C17H31O7N5 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)O)C(N)=O |
|
AD20812 | 0.86 | 265.24 | C13H12O4NF | CNC(=O)COC1=C(c2cccc(F)c2)C(=O)OC1 |
|
AD20813 | 4.75 | 320.37 | C18H12O2N2S | CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1ccco1 |
|
AD20814 | 4.78 | 488.49 | C28H24O8 | Oc1ccc(C2C(c3ccc(O)cc3)C(c3cc(O)cc(O)c3O)C2c2cc(O)cc(O)c2O)cc1 |
|
AD20815 | 5.12 | 519.73 | C32H45O3N3 | COc1ccc(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)N3CCN(C)CC3)cc2)c(C(C)C)c1 |
|
AD20816 | 1.95 | 174.28 | C10H22O2 | CC(CCO)CCCC(C)(C)O |
|
AD20817 | 4.11 | 184.32 | C12H24O | CCCCCCCCCCCC=O |
|
AD20818 | -1.43 | 202.16 | C6H4N9 | Nc1ncnc2c1C(c1nnn[nH]1)=N[N]2 |
|
AD20819 | 1.43 | 312.33 | C15H15N7F | Nc1nc2c(c(N3CCN(c4ccc(F)cc4)CC3)n1)N=C[N]2 |
|
AD20820 | 5.54 | 1297.13 | C66H59O17N9Cl2 | NCCCCCCNC(=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 |