aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00171 | -0.14 | 132.16 | C6H12O3 | CC1OC(O)CCC1O |
|
AD00172 | 4.21 | 782.88 | C41H54O13N2 | COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[N+](=O)[O-] |
|
AD00173 | 2.34 | 502.48 | C28H22O9 | COc1cc(C)c2c(c1)C1(C(=O)C=C2)C(=O)OC2C(O)c3cc4c(cc3C21)C(O)(C1COC(=O)O1)C=C4 |
|
AD00174 | 4.59 | 430.63 | C27H42O4 | CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C12 |
|
AD00175 | 1.5 | 194.19 | C10H10O4 | COc1cc(C=CC(=O)O)ccc1O |
|
AD00176 | 0.94 | 168.19 | C9H12O3 | COc1cc(CCO)ccc1O |
|
AD00177 | 0.16 | 590.76 | C29H54O10N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O |
|
AD00178 | 1.65 | 377.37 | C18H20O5N3F | O=C(O)CCNCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 |
|
AD00179 | -1.14 | 143.1 | C4H5O3N3 | O=c1cc(NO)[nH]c(=O)[nH]1 |
|
AD00180 | 0.14 | 171.09 | C4H2O2N5F | [N-]=[N+]=Nc1[nH]c(=O)[nH]c(=O)c1F |