aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16311 | 4.55 | 264.37 | C19H20O | C1=CCOc2ccc(cc2)Cc2ccccc2CCC1 |
|
AD16312 | 3.53 | 801.95 | C39H62O9N5F3 | COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3cccc(C(F)(F)F)c3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD16313 | 3.24 | 780.04 | C39H65O9N5S | COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3ccc(SC)cc3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD16314 | -2.26 | 753.91 | C31H47O9N9S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O |
|
AD16315 | 2.51 | 733.95 | C38H63O9N5 | COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3ccccc3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD16316 | -0.54 | 370.79 | C17H19O6N2Cl | NC(=O)COC1OC(C(=O)NCCc2ccccc2Cl)=CC(O)C1O |
|
AD16317 | 9.97 | 1062.27 | C63H71O12N3 | O=C(O)Cc1cccc(-c2cc(CCCC(=O)NCCCCC(CCCNC(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)CNC(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1 |
|
AD16318 | 5.55 | 432.6 | C26H40O5 | CC12CCC3C(CCC4C(C)(C(=O)OCCCCCC(=O)O)CCCC34C)(CC1=O)C2 |
|
AD16319 | 1.15 | 395.38 | C17H17O3N9 | CCC(=O)Nc1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1 |
|
AD16320 | -0.68 | 200.27 | C5H6N5S2 | N=C(S)C1=N[N]C(N)=C1C(N)=S |