aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04151 | 6.54 | 512.73 | C32H48O5 | C=C(C)CC(CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13)OC(C)=O |
|
AD04152 | 0.5 | 117.19 | C6H15ON | NCCCCCCO |
|
AD04153 | 1.47 | 452.44 | C22H29O8P | CO[P+]([O-])(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC21C |
|
AD04154 | 3.85 | 446.63 | C27H42O5 | CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)C(=O)CC5(C)C4CCC3(C)C2C1C |
|
AD04155 | -0.63 | 135.07 | C3H5O5N | O=COCCO[N+](=O)[O-] |
|
AD04156 | 1.71 | 164.21 | C7H6N3S | CSc1nccc2c1N=C[N]2 |
|
AD04157 | 2.38 | 242.22 | C11H8O2N5 | O=[N+]([O-])c1cn(CC2=C[N]N=N2)c2ccccc12 |
|
AD04158 | 2.61 | 232.31 | C12H12ON2S | CC(C)=C1N=C(S)N(c2ccccc2)C1=O |
|
AD04159 | 0.22 | 527.53 | C27H29O10N | CN(C)C1C(O)C2Oc3c(cc(O)c4c3C(=O)c3cc5c(c(O)c3C4=O)C(O)CC(C)(O)C5)C(C)(O2)C1O |
|
AD04160 | 0.34 | 175.17 | C8H7ON4 | C=CCn1cnc2c(c1=O)N=C[N]2 |