aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02621 | 0.12 | 196.2 | C10H12O4 | CC1=CC(=O)C2CC1(O)OC=C2CO |
|
AD02622 | 2.74 | 215.28 | C12H15N4 | C1=Nc2c(NC3CCCCC3)ccnc2[N]1 |
|
AD02623 | 0.66 | 279.25 | C12H13O5N3 | CCc1c(OC(C)=O)c2c(N)nc(OC)nc2oc1=O |
|
AD02624 | -0.35 | 180.15 | C6H6O2N5 | COC1=Nc2c(O)nc(N)nc2[N]1 |
|
AD02625 | 3.17 | 359.49 | C20H25O3NS | CC1OC(O)CC(C)(NCc2ccc(Sc3ccccc3)cc2)C1O |
|
AD02626 | 2.63 | 1287.13 | C62H65O19N9Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD02627 | -0.72 | 178.18 | C6H8N7 | CN(N)c1nc(N)nc2c1N=C[N]2 |
|
AD02628 | 0.08 | 111.1 | C5H5O2N | O=c1cc(O)cc[nH]1 |
|
AD02629 | -7.39 | 812.89 | C36H52O10N12 | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(C(O)C2CNC(N)N2)NC(=O)C(Cc2ccc(O)cc2)NC1=O |
|
AD02630 | 2.38 | 158.24 | C9H18O2 | CCCC(CCC)C(=O)OC |