aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44531 | 2.89 | 438.54 | C22H27ON3F3S | OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 |
|
AD44532 | 1.41 | 300.38 | C18H22O3N | COC1=CC23CCC[NH+]2CCc2cc4c(cc2C3C1)OCO4 |
|
AD44533 | 4.23 | 445.53 | C25H32O5NF | CC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O |
|
AD44534 | 4.73 | 459.24 | C24H12O7Cl2 | O=C(O)COc1cc2c(cc1Cl)C1(OC(=O)c3ccccc31)c1cc(Cl)c(O)cc1O2 |
|
AD44535 | 3.77 | 390.43 | C21H26O7 | COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O |
|
AD44536 | 2.45 | 325.03 | C7H7N3SBr2 | NC(=S)Nc1cc(Br)c(N)c(Br)c1 |
|
AD44537 | 2.83 | 274.32 | C15H18O3N2 | COc1cc(NC(C)=O)c(OC)c2c(C)cc(C)nc12 |
|
AD44538 | 1.89 | 262.25 | C15H8O2N3 | O=C1c2ccccc2C(=O)N1C1=N[N]c2ccccc21 |
|
AD44539 | 2.5 | 202.28 | C11H10N2S | NC(=S)Nc1cccc2ccccc12 |
|
AD44540 | 2.43 | 256.31 | C12H10N5S | Cc1ccc(Sc2nc(N)nc3c2N=C[N]3)cc1 |