aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02771 | 1.64 | 300.31 | C17H16O5 | Oc1ccc(C#CCC(O)C(O)c2ccc(O)c(O)c2)cc1 |
|
AD02772 | 9.87 | 608.0 | C38H73O4N | CCCCCC=CCC=CCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC |
|
AD02773 | 0.83 | 483.5 | C23H26O4N7F | O=CNCc1cn(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 |
|
AD02774 | -1.1 | 275.35 | C12H25O4N3 | CC(C)CC(N)C(=O)NCCCNC(CO)C(=O)O |
|
AD02775 | 0.56 | 828.67 | C23H35O17N4P3S3 | Cc1cn(C2CC(OCC(O)COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)S)C(COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD02776 | 3.8 | 357.42 | C16H17O2N6S | CCCCNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2 |
|
AD02777 | 6.71 | 458.73 | C30H50O3 | CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C |
|
AD02778 | 2.93 | 212.25 | C14H12O2 | Cc1ccccc1C(=O)c1cccc(O)c1 |
|
AD02779 | 4.21 | 276.72 | C16H13O3Cl | COc1ccc(-c2ccc(C=CC(C)=O)o2)cc1Cl |
|
AD02780 | 1.03 | 145.15 | C7H5N4 | C=Cc1ncnc2c1N=C[N]2 |