aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44621 | 1.51 | 181.15 | C8H7O4N | O=C(O)Nc1ccc2c(c1)OCO2 |
|
AD44622 | 0.98 | 165.15 | C8H7O3N | O=CNc1ccc2c(c1)OCO2 |
|
AD44623 | -0.27 | 159.15 | C4H3O3N2S | O=C(n1ccnc1)[S](=O)=O |
|
AD44624 | 3.13 | 244.32 | C13H12ON2S | NC(=S)Nc1ccc(Oc2ccccc2)cc1 |
|
AD44625 | 3.05 | 297.34 | C15H11O2N3S | O=c1c(C=Cc2ccco2)n[nH]c(=S)n1-c1ccccc1 |
|
AD44626 | 5.05 | 368.52 | C24H32O3 | CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12 |
|
AD44627 | 0.51 | 181.19 | C8H11O2N3 | CCCC(=O)Nc1cc[nH]c(=O)n1 |
|
AD44628 | -0.81 | 168.15 | C7H8O3N2 | CC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 |
|
AD44629 | 2.32 | 665.65 | C34H35O13N | CC1OC(OC2CC(O)c3c(oc4c5c6c(c(O)c4c3=O)-c3c(cc4c(c3O)C(=O)N3CCOC3(C)C4)CC6OCO5)C2O)CCC1O |
|
AD44630 | 4.33 | 374.5 | C25H28O2N | CCC(=C(c1ccc(OCC[NH2+]C)cc1)c1cccc(O)c1)c1ccccc1 |