aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20501 | 0.86 | 73.09 | C3H7ON | CC(C)=NO |
|
AD20502 | 5.05 | 726.74 | C36H26O6N10S | O=C(NCC1=C[N]N=N1)c1cc(NC(=S)Nc2ccc3c(c2)C(=O)CC32c3ccc(O)cc3Oc3cc(O)ccc32)cc(C(=O)NCC2=C[N]N=N2)c1 |
|
AD20503 | 0.23 | 235.24 | C11H13O3N3 | CCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 |
|
AD20504 | 1.56 | 164.21 | C9H12ON2 | CN(C)c1ccc(C=NO)cc1 |
|
AD20505 | 0.06 | 162.21 | C7H15ON2F | CC(C)C(N)C(=O)NCCF |
|
AD20506 | 4.65 | 275.76 | C15H10ONClS | Clc1ccccc1Cc1cnc(-c2ccco2)s1 |
|
AD20507 | 4.65 | 275.76 | C15H10ONClS | Clc1ccccc1Cc1cnc(-c2ccoc2)s1 |
|
AD20508 | 5.56 | 683.78 | C38H42O6N5F | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)OCc1cn(CCO)nn1 |
|
AD20509 | 6.27 | 668.91 | C40H60O8 | CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C |
|
AD20510 | 2.98 | 322.27 | C18H10O6 | O=c1ccc2ccc(O)c(-c3c(O)ccc4ccc(=O)oc34)c2o1 |