aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13301 | 0.85 | 167.24 | C7H9N3S | NC(=S)NNc1ccccc1 |
|
AD13302 | 3.32 | 1289.23 | C65H60O21N8 | Cc1c(O)cc2cc1Oc1cc(ccc1O)C(N)C(=O)NC1C(=O)NC2C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(N)C(O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1O |
|
AD13303 | 2.18 | 131.18 | C9H9N | Cn1ccc2ccccc21 |
|
AD13304 | 1.16 | 398.45 | C18H18O3N6S | COc1ccc(C(=O)Nc2nc3ccccc3n2CC(=O)NNC(N)=S)cc1 |
|
AD13305 | -2.91 | 1434.05 | C67H101O21N12Cl | CC=C(NC(=O)C(NC(=O)CNC(=O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(C)O)C(=O)NC(C(=O)NC1C(=O)NC(COC)C(=O)NCC(=O)NC(C)C(=O)N(C)C(C(C)O)C(=O)NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(N)=O |
|
AD13306 | 2.67 | 422.52 | C23H34O7 | CCC1OC(O)=CC(=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD13307 | 0.9 | 230.25 | C11H12ON5 | CC(=O)N(Cc1ncnc2c1N=C[N]2)C1CC1 |
|
AD13308 | 2.65 | 329.37 | C14H13O2N6S | CN(C)c1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2 |
|
AD13309 | 5.47 | 476.74 | C30H52O4 | CC(C)=CCC(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C |
|
AD13310 | 7.61 | 603.89 | C39H57O4N | CC1(CNC(Cc2ccccc2)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |