aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24641 | 10.88 | 568.89 | C40H56O2 | CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)CO |
|
AD24642 | 0.42 | 263.04 | C5H6N5I | Nc1ncnc2c1C(I)NN2 |
|
AD24643 | 0.67 | 162.17 | C8H8ON3 | Nc1cc(CO)cc2c1[N]C=N2 |
|
AD24644 | -1.98 | 719.76 | C35H47O14N2 | COC1C(O)C2=C(CC3=C(C(=O)C4=C5OC6OC(C)(C5C=CC4C3=O)C(OC3CC(C)([N+](=O)[O-])C(O)C(C)O3)C([NH+](C)C)C6O)C2O)CC1(C)O |
|
AD24645 | 0.72 | 127.17 | C4H5N3S | Nc1cc[nH]c(=S)n1 |
|
AD24646 | -0.84 | 139.11 | C5H5O2N3 | Nc1nc(=O)[nH]cc1C=O |
|
AD24647 | -0.96 | 76.05 | CH4O2N2 | NC(=O)NO |
|
AD24648 | 0.35 | 639.49 | C23H35O14N3P2 | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c1ccccc1C(=O)O |
|
AD24649 | 0.74 | 142.18 | C5H6ON2S | Cc1c[nH]c(=S)[nH]c1=O |
|
AD24650 | -1.3 | 211.22 | C8H13O2N5 | Cn1cc(CNC(=O)CCC(N)=O)nn1 |