aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00581 | -0.91 | 111.1 | CH3O4S | COS(=O)(=O)[O-] |
|
AD00582 | 4.15 | 504.71 | C30H48O6 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O |
|
AD00583 | 4.6 | 490.73 | C30H50O5 | CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(=CCC12C)CC12OC3CC1C(C)(C)C(O)CC2O |
|
AD00584 | 0.42 | 230.22 | C12H10O3N2 | O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1 |
|
AD00585 | 4.31 | 663.84 | C35H45ON13 | CN1CCN(c2ccc3nc(-c4ccc(OCc5cn(CCCCCn6cc(CCCCc7cn(C)nn7)nn6)nn5)cc4)[nH]c3c2)CC1 |
|
AD00586 | -1.35 | 212.29 | C6H12O4S2 | OCC1OC(S)C(O)C(S)C1O |
|
AD00587 | 0.69 | 624.7 | C30H40O7N8 | CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O)C(C)C |
|
AD00588 | 0.21 | 258.26 | C12H12O2N5 | [O-][n+]1cnc2c(c1NC1CC3CC1C1OC31)N=C[N]2 |
|
AD00589 | 3.86 | 502.65 | C29H42O7 | CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD00590 | 2.24 | 524.74 | C30H52O7 | CC(C)C(C=CC(C)C1C(O)C(O)C2(C)C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)CCO |