aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10431 | 1.96 | 245.31 | C12H17N6 | Nc1nc(NCCC2CCCC2)nc2c1N=C[N]2 |
|
AD10432 | 3.65 | 492.44 | C29H16O8 | O=C1c2ccccc2C(=O)c2c(O)c(Cc3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)cc(O)c21 |
|
AD10433 | 2.46 | 256.26 | C15H12O4 | O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1 |
|
AD10434 | -1.53 | 243.29 | C5H11O5N2S2 | NS(=O)(=O)OC1CCN([S](=O)=O)CC1 |
|
AD10435 | 8.5 | 1359.2 | C72H61O18N7Cl2 | CCCCc1ccc(CN(C)C2C(=O)NC3Cc4ccc(cc4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(cc(O)c3Cl)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)cc1 |
|
AD10436 | 8.9 | 1482.4 | C79H74O17N10Cl2 | CCCCn1cc(CN(C)C2C(=O)NC3Cc4ccc(cc4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(cc(O)c3Cl)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)NCCCN(C)C)NC4=O)c2ccccc21 |
|
AD10437 | 0.27 | 190.19 | C8H8ON5 | COC(=N)C1=C[N]c2ncnc(N)c21 |
|
AD10438 | 1.93 | 268.1 | C7H10O7P2 | COP(=O)(O)OP(=O)(O)Oc1ccccc1 |
|
AD10439 | -8.02 | 722.76 | C29H46O10N12 | Cc1cn(CC(=O)N(CCNC(=O)CN(CCN)C(=O)Cn2ccc(=O)[nH]c2=O)CC(=O)NCCNC2C(O)C(N)CC(N)C2O)c(=O)[nH]c1=O |
|
AD10440 | 0.46 | 553.58 | C26H31O7N7 | CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O |