aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44571 | 2.45 | 224.67 | C11H5O2ClS | O=C1C(S)=C(Cl)C(=O)c2ccccc21 |
|
AD44572 | 1.52 | 477.63 | C24H35O5N3S | CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(N)=S)C1(O)CCC2C1=CC(=O)OC1 |
|
AD44573 | 2.14 | 222.29 | C10H6O2S2 | O=C1C(S)=C(S)C(=O)c2ccccc21 |
|
AD44574 | 3.15 | 426.62 | C27H40O3N | CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)C[NH2+]C1C2C |
|
AD44575 | 3.72 | 441.59 | C26H37O4N2 | COc1ccc(CC[NH2+]CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC |
|
AD44576 | 3.76 | 426.49 | C22H35O6P | CO[PH](O)(O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |
|
AD44577 | 2.32 | 229.23 | C13H11O3N | ON=C(c1ccccc1)c1ccc(O)cc1O |
|
AD44578 | 2.68 | 260.32 | C13H18ON5 | CCCCCCCC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD44579 | 4.4 | 367.29 | C14H11ON2S2Br | COc1ccc(-c2c(Br)c(SC)nc(S)c2C#N)cc1 |
|
AD44580 | -0.82 | 159.17 | C4H5O2N3S | CSc1n[nH]c(=O)[nH]c1=O |