aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44561 | 2.24 | 227.34 | C8H5ONS3 | O=C1NC(=S)SC1=Cc1cccs1 |
|
AD44562 | 2.62 | 289.07 | C13H6O5Cl2 | CC1=C(O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O |
|
AD44563 | 2.68 | 225.25 | C14H11O2N | O=C(C=Cc1ccccc1O)c1ccncc1 |
|
AD44564 | 2.88 | 214.22 | C13H10O3 | O=C(C=Cc1ccco1)c1ccc(O)cc1 |
|
AD44565 | 2.29 | 442.56 | C25H34O5N2 | CC12CCC3C(CCC4(O)CC(O)CCC34C=NCC#N)C1(O)CCC2C1=CC(=O)OC1 |
|
AD44566 | 2.22 | 401.5 | C23H31O5N | CC12CCC3C(CCC4(O)CC(O)CCC34C#N)C1(O)CCC2C1=CC(=O)OC1 |
|
AD44567 | 1.69 | 135.17 | C8H9ON | COc1cccc(C=N)c1 |
|
AD44568 | 2.99 | 310.35 | C18H18O3N2 | Cc1cccc(OCCCN2C(=O)C(=NO)c3ccccc32)c1 |
|
AD44569 | 2.99 | 310.35 | C18H18O3N2 | Cc1ccc(OCCCN2C(=O)C(=NO)c3ccccc32)cc1 |
|
AD44570 | 2.99 | 310.35 | C18H18O3N2 | Cc1ccccc1OCCCN1C(=O)C(=NO)c2ccccc21 |