aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12121 | 4.12 | 361.31 | C20H9O2N3F2 | O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1[nH]c3cc(F)ccc3c21 |
|
AD12122 | 0.15 | 236.27 | C12H16O3N2 | NC(CCc1ccccc1)C(=O)NCC(=O)O |
|
AD12123 | 1.86 | 220.05 | C10H7O2NCl2 | NC(=O)COc1ccc(Cl)cc1Cl |
|
AD12124 | 4.42 | 271.75 | C17H14ONCl | COc1ccc(Cc2c[nH]c3cccc(Cl)c23)cc1 |
|
AD12125 | 3.14 | 315.31 | C14H22O5NP | COP(=O)(NC(C)C(=O)OC(C)(C)C)Oc1ccccc1 |
|
AD12126 | -0.4 | 494.22 | C12H21O13N2P3 | COP(=O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O |
|
AD12127 | 1.59 | 281.34 | C16H17ON4 | CCCCCc1ccc(C#CC2=NC(C(N)=O)=N[N]2)cc1 |
|
AD12128 | -14.25 | 1179.09 | C43H72O34NS | [NH]CCSC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O |
|
AD12129 | 6.2 | 569.83 | C35H55O5N | CC1(C)CCC2(C(=O)N3CCCC3C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD12130 | 3.79 | 289.79 | C15H12N3ClS | Cn1cccc1-c1nnc(Cc2ccccc2Cl)s1 |