aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23281 | 2.79 | 268.34 | C15H18N5 | CC1(C)C2CC=C(CNc3ncnc4c3N=C[N]4)C1C2 |
|
AD23282 | 4.13 | 288.3 | C19H12O3 | O=C1C=Cc2cc(O)cc3c(-c4ccc(O)cc4)ccc1c23 |
|
AD23283 | 2.05 | 259.68 | C12H8N6Cl | Clc1nc2c(c(NCc3ccccn3)n1)N=C[N]2 |
|
AD23284 | 4.45 | 369.4 | C18H28O5NP | COP(=O)(NC(C)C(=O)OC1CCCCCCC1)Oc1ccccc1 |
|
AD23285 | -1.84 | 2038.06 | C93H119O25N23Cl2S | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(CS)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N4CCCC4C(=O)N4CCCC4C(=O)O)C(C)C)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD23286 | -3.25 | 3046.29 | C143H196O36N34Cl2S | CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CS)NC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21)C(C)CC)C(=O)NC(CO)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O |
|
AD23287 | 0.46 | 334.32 | C17H18O7 | COc1ccc(C(=O)OC2C3C=COC(O)C3C3(CO)OC23)cc1 |
|
AD23288 | 1.72 | 274.69 | C13H9ON5Cl | COc1cc(C2=N[N]c3ncnc(N)c32)ccc1Cl |
|
AD23289 | 1.43 | 230.28 | C10H8N5S | Cc1csc(C2=N[N]c3ncnc(N)c32)c1 |
|
AD23290 | 0.13 | 111.15 | C5H9N3 | CNCc1cc[nH]n1 |