aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44231 | 0.68 | 394.38 | C19H22O9 | COc1ccc(C(=O)OC2C(OC(C)=O)OCC(=O)C3C(O)OCCC23)cc1 |
|
AD44232 | 0.71 | 179.17 | C9H9O3N | CC(=O)Oc1ccccc1C(N)=O |
|
AD44233 | 0.71 | 179.17 | C9H9O3N | CC(=O)Oc1ccc(C(N)=O)cc1 |
|
AD44234 | 0.64 | 193.2 | C10H11O3N | CC(=O)Oc1ccccc1CC(N)=O |
|
AD44235 | 1.05 | 221.33 | C11H15N3S | NC(=S)N1CCN(c2ccccc2)CC1 |
|
AD44236 | -0.51 | 162.23 | C6H12O2NS | CC1(C)SC[NH2+]C1C(=O)O |
|
AD44237 | 1.19 | 276.32 | C12H12O2N4S | COc1ccc(C=Cc2n[nH]c(=S)n(N)c2=O)cc1 |
|
AD44238 | 0.89 | 226.26 | C8H4O3NS2 | O=c1sc([S](=O)=O)nc2ccccc12 |
|
AD44239 | 0.95 | 192.25 | C8H8N4S | Nn1c(S)nnc1-c1ccccc1 |
|
AD44240 | 0.25 | 302.28 | C12H18O7N2 | CCOC(=O)N1C(O)C=CC(C(=O)OC)N1C(=O)OCC |