aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18231 | 2.56 | 286.28 | C16H14O5 | O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(O)cc1 |
|
AD18232 | 2.62 | 414.41 | C22H22O8 | COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC |
|
AD18233 | 0.45 | 248.28 | C13H16O3N2 | NC1CCC(OC(=O)c2ccccc2)CNC1=O |
|
AD18234 | -0.19 | 145.16 | C6H11O3N | COC(=O)CCCC(N)=O |
|
AD18235 | 9.45 | 644.01 | C38H74O5NF | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCC(=O)CF |
|
AD18236 | 6.58 | 821.49 | C45H69O10N2Cl | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C3CCCCC3)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCc3ccc(Cl)cc3)C(=O)OC12C |
|
AD18237 | 4.42 | 1227.25 | C65H62O17N8 | 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(O)c3ccc(c(-c4ccc(-c5ccccc5)cc4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1O |
|
AD18238 | 3.45 | 887.22 | C43H74O11N4S2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)C(C)C(O)C1(C)O |
|
AD18239 | 2.99 | 248.35 | C13H16ON2S | CCc1[nH]nc(O)c1Cc1ccc(SC)cc1 |
|
AD18240 | 1.15 | 183.19 | C10H7N4 | C(#CC1CC1)c1ncnc2c1N=C[N]2 |