aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10291 | 2.41 | 350.46 | C20H30O5 | CC1(C)C(O)CCC2(C)C3CC(C4=CCOC4=O)OC(O)C3CCC12 |
|
AD10292 | 2.19 | 227.35 | C13H25O2N | CC(O)CCCCC(=O)N1CCC(C)CC1 |
|
AD10293 | 2.69 | 332.73 | C15H11O3N5Cl | O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OCC1=C[N]N=N1 |
|
AD10294 | -1.32 | 151.13 | C4H5N7 | Nc1nc(N)c2nncn2n1 |
|
AD10295 | 9.02 | 947.21 | C60H58N12 | C1=Cc2nc1c(-c1ccc(N3CC[N]CC3)cc1)c1ccc([nH]1)c(-c1ccc(N3CC[N]CC3)cc1)c1nc(c(-c3ccc(N4CC[N]CC4)cc3)c3ccc([nH]3)c2-c2ccc(N3CC[N]CC3)cc2)C=C1 |
|
AD10296 | 2.67 | 342.54 | C11H15O5NPCl3 | CCOC(=O)C(C)NP(=O)(OC)OCC(Cl)(Cl)Cl |
|
AD10297 | 5.27 | 518.37 | C26H20O4N3Br | O=C(CBr)OCCCCN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O |
|
AD10298 | -2.41 | 189.21 | C8H15O4N | CNC1C=C(CO)C(O)C(O)C1O |
|
AD10299 | -3.05 | 1143.37 | C48H74O11N18S2 | CCCC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1 |
|
AD10300 | 3.35 | 822.12 | C42H71O9N5S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=S)Nc2ccccc2)C(C)C(O)C1(C)O |