aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02021 | 3.68 | 412.52 | C22H36O7 | CC(O)CCCCC(=O)OC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3 |
|
AD02022 | 4.35 | 335.28 | C17H12O3NF3 | COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O |
|
AD02023 | 1.03 | 140.07 | C3H9O4P | COP(=O)(OC)OC |
|
AD02024 | 0.67 | 147.16 | C7H7N4 | CC1=C[N]c2ncnc(N)c21 |
|
AD02025 | 4.14 | 495.41 | C25H28O4N4Cl2 | O=C(O)NCC(=O)Nc1ccc(NC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1 |
|
AD02026 | 2.24 | 288.72 | C14H11ON5Cl | Nc1nc(OCCc2cccc(Cl)c2)nc2c1N=C[N]2 |
|
AD02027 | 3.48 | 320.43 | C19H28O4 | CC1=CC(C2=C(C)CCC(O)C2(C)C)C(C=C(C)C(=O)O)OC1 |
|
AD02028 | 2.22 | 309.35 | C16H17ON6 | CCC(=O)c1ccccc1CCNc1nc(N)c2c(n1)[N]C=N2 |
|
AD02029 | 0.02 | 210.24 | C7H8ON5S | Nc1ncnc2c1N=C(SCCO)[N]2 |
|
AD02030 | 3.87 | 706.74 | C38H42O13 | O=CC1(C=CO)CCC(COC(=O)C2=Cc3cc(O)c(O)cc3C(c3ccc(O)cc3)C2C(=O)OCC2CCC(C=O)(C=CO)C(O)C2)CC1O |