aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20541 | 3.99 | 243.69 | C15H10ONCl | Oc1ccc(-n2ccc3ccccc32)cc1Cl |
|
AD20542 | 2.13 | 286.24 | C15H10O6 | O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 |
|
AD20543 | 2.59 | 794.07 | C40H67O9N5S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccc(C#N)cc2)C(C)C(O)C1(C)O |
|
AD20544 | 2.64 | 801.14 | C41H76O9N4S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NCC2CC3CCC2C3)C(C)C(O)C1(C)O |
|
AD20545 | 1.21 | 367.44 | C18H23ON8 | COc1ccc(N2CCN(CCNc3nc(N)c4c(n3)[N]C=N4)CC2)cc1 |
|
AD20546 | 1.99 | 389.85 | C18H19N8FCl | Nc1nc(NCCN2CCN(c3ccc(F)c(Cl)c3)CC2)nc2c1N=C[N]2 |
|
AD20547 | 2.52 | 665.97 | C34H67O4N9 | CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCC1CCC2C(CON2CCCN)C(=O)N1 |
|
AD20548 | 5.57 | 421.47 | C22H32O5NP | CCC(C)C(NP(=O)(OC)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C |
|
AD20549 | 4.51 | 432.65 | C27H44O4 | CC(C)CCC(=O)C(C)C1CC2C(CC=C3CC(O)CCC32C)C2CC(O)C(O)C12C |
|
AD20550 | -0.74 | 336.39 | C16H24O4N4 | CC(N)C(=O)NC(CCC(N)=O)C(=O)Nc1ccc(CCO)cc1 |