aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13491 | 4.13 | 290.45 | C19H30O2 | CC1(C=O)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1 |
|
AD13492 | 0.81 | 283.27 | C13H11O2N6 | Nc1ncnc2c1N=C(NCc1ccc3c(c1)OCO3)[N]2 |
|
AD13493 | 4.49 | 586.59 | C27H28O5N11 | [N-]=[N+]=NCCCCC(=O)Oc1ccc(NC(=O)CCc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc1[N+](=O)[O-] |
|
AD13494 | 1.15 | 198.61 | C9H7O2N2Cl | NC(=O)NC(=O)c1ccc(Cl)cc1 |
|
AD13495 | -0.17 | 100.13 | C2H2N3S | SC1=NN=C[N]1 |
|
AD13496 | 0.8 | 247.14 | C8H10O6NP | COP(=O)(O)ONC(=O)c1ccccc1O |
|
AD13497 | 4.47 | 1413.98 | C73H85O18N10Cl | 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(C)C4C5CC6CC(C5)CC4C6)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD13498 | 0.93 | 254.23 | C12H8O2N5 | O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)c1ccccc1 |
|
AD13499 | 1.03 | 430.37 | C21H18O10 | CC1OC(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C(=O)C1O |
|
AD13500 | 8.32 | 1459.36 | C77H73O18N9Cl2 | CCCCOc1ccc(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)cc1 |