aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20031 | 1.76 | 618.85 | C32H62O9N2 | CCCN1CC(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC1C |
|
AD20032 | 2.11 | 302.28 | C16H14O6 | O=C(OCCOC(=O)c1ccccc1O)c1ccccc1O |
|
AD20033 | 0.05 | 485.45 | C24H23O10N | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCN)CC3O |
|
AD20034 | 2.31 | 421.5 | C17H19O4N5S2 | CCNC(S)=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 |
|
AD20035 | -3.76 | 1493.79 | C65H100O15N22S2 | CC(=O)N(C)CCCCN(CC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1)C(=O)C1CCCN1C(=O)C1CCCN1C(C)=O |
|
AD20036 | 3.27 | 308.34 | C18H16O3N2 | CC(C)(O)C=Cc1cccc2nc3cccc(C(=O)O)c3nc12 |
|
AD20037 | 3.58 | 229.67 | C14H8ONCl | N#Cc1cccc(-c2ccc(O)c(Cl)c2)c1 |
|
AD20038 | 0.21 | 437.29 | C13H21O8N5P2 | COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1COP(=O)(O)O |
|
AD20039 | 5.96 | 623.88 | C38H57O6N | CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO |
|
AD20040 | 3.61 | 658.75 | C30H28O5N9S2 | O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc(S(=O)(=O)O)cc1 |