aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11191 | -0.43 | 270.32 | C13H16N7 | CN1CCN(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1 |
|
AD11192 | 8.27 | 562.69 | C24H52O8P2S | CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC)OCC |
|
AD11193 | 2.46 | 302.33 | C17H18O5 | Cc1c(O)c(CO)c(O)c2c1OC(c1ccccc1)CC2O |
|
AD11194 | 4.28 | 340.34 | C21H12O3N2 | Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)OC3=O |
|
AD11195 | 8.5 | 1670.11 | C87H96O19N11Cl3 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCCCCCN(C)C)c(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4cccc(C=Cc5ccc(Cl)cc5)c4)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD11196 | 0.21 | 223.24 | C9H13O2N5 | CCCCn1c(=O)[nH]c2nc(N)nc(O)c21 |
|
AD11197 | 4.32 | 332.44 | C20H28O4 | CC(C)c1cc2c(c(O)c1O)C1(C)CCCC(C)(C(=O)O)C1CC2 |
|
AD11198 | -0.06 | 288.26 | C14H12O5N2 | COC(=O)C1C=CC(O)n2c(=O)c3ccccc3c(=O)n21 |
|
AD11199 | 1.97 | 70.13 | C5H10 | CC=C(C)C |
|
AD11200 | 2.17 | 271.24 | C12H8ON6F | O=C(Nc1cccc(F)c1)Nc1ncnc2c1N=C[N]2 |