aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15441 | 2.4 | 281.34 | C15H17N6 | Nc1nc(NCCCCc2ccccc2)nc2c1N=C[N]2 |
|
AD15442 | 2.84 | 411.41 | C22H21O7N | Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(C(C)(C)O)O4)c(=O)oc12 |
|
AD15443 | 4.67 | 1281.09 | C65H55O17N9Cl2 | CN1CCN(C(=O)C2NC(=O)C3NC(=O)C(NC(=O)C4NC(=O)C5NC(=O)C(Cc6ccc(c(Cl)c6)Oc6cc4cc(c6O)Oc4ccc(cc4Cl)C3O)NC(=O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc5c3)c3ccc(O)c(c3)-c3c(O)cc(O)cc32)CC1 |
|
AD15444 | -1.89 | 260.24 | C11H16O7 | COC(=O)C1=COC(O)C2C(C)C(O)C(O)C12O |
|
AD15445 | 2.57 | 1106.77 | C48H34O31 | O=C(OC1OC2COC(=O)c3cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
|
AD15446 | 5.75 | 523.64 | C29H27O2N6S | O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1 |
|
AD15447 | 6.3 | 486.69 | C30H46O5 | CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD15448 | -0.82 | 188.17 | C7H6N7 | CN1N=C(N)C2=C[N]c3nnnc1c32 |
|
AD15449 | 4.6 | 316.83 | C20H21O2Cl | CCc1ccc(Cc2ccc(COCC(C)=O)cc2Cl)cc1 |
|
AD15450 | 0.49 | 163.22 | C9H13N3 | c1ccc(N2CCNCC2)nc1 |