aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02651 | 0.0 | 101.11 | C4H7O2N | O=CN(O)C1CC1 |
|
AD02652 | 0.8 | 156.21 | C6H8ON2S | CSc1nc(C)cc(=O)[nH]1 |
|
AD02653 | 2.03 | 256.26 | C15H12O4 | Cc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O |
|
AD02654 | 7.45 | 739.05 | C44H70O7N2 | COC(=O)C1(C)CCC2(C(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD02655 | 2.83 | 176.24 | C10H8OS | Oc1ccc2ccc(S)cc2c1 |
|
AD02656 | 0.71 | 238.28 | C13H18O4 | OC1CCOC(COCc2ccccc2)C1O |
|
AD02657 | 4.01 | 356.42 | C21H24O5 | COc1c2cc(c(O)c1OC)CCCCC(=O)CCc1ccc(O)c-2c1 |
|
AD02658 | 1.06 | 204.21 | C9H10ON5 | Oc1nc2c(c(NC3CCC3)n1)N=C[N]2 |
|
AD02659 | 2.61 | 171.28 | C10H21ON | CCCCCCCCCC(N)=O |
|
AD02660 | 4.98 | 1198.94 | C60H45O18N7Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O |