aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00011 | 8.2 | 826.99 | C42H62O11N6 | CN(CCO)[N+]([O-])=NOc1cc(NCCC(=O)OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] |
|
AD00012 | 4.48 | 512.71 | C27H44O7S | CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
AD00013 | -0.5 | 96.11 | CH4O3S | CS(=O)(=O)O |
|
AD00014 | 0.07 | 130.14 | C6H10O3 | CC1OC(O)CCC1=O |
|
AD00015 | 2.16 | 569.61 | C30H35O10N | CCC1(O)CC(OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1C(=O)OC |
|
AD00016 | 4.62 | 568.53 | C32H24O10 | Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C6OC(c7ccccc7)OC6C5O)c4c4oc(=O)c1c2c34 |
|
AD00017 | 0.18 | 74.08 | C3H6O2 | COC(C)=O |
|
AD00018 | 3.71 | 315.36 | C19H15ON4 | Cc1ccc(C=C2C(=O)N(CC3=C[N]N=N3)c3ccccc32)cc1 |
|
AD00019 | -0.93 | 97.99 | H3O4P | O=P(O)(O)O |
|
AD00020 | 1.58 | 178.19 | C10H10O3 | COC(=O)C=Cc1ccc(O)cc1 |