aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16501 | 4.21 | 544.51 | C30H24O10 | CC1Cc2c(c(O)c3c(=O)cc4oc5c(O)cc(O)c6c(=O)c7c8c(c56)c4c3c2OC8(O)C(C)OC7C)C(C)O1 |
|
AD16502 | 1.92 | 220.22 | C12H6N5 | N#Cc1ccc(-c2ncnc3c2N=C[N]3)cc1 |
|
AD16503 | -7.19 | 2444.85 | C112H170O28N32S | CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)C(C)O)C(C)C)C(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)O)C(C)C |
|
AD16504 | 3.38 | 803.5 | C40H67O9N4ClS | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccc(Cl)cc2)C(C)C(O)C1(C)O |
|
AD16505 | 2.47 | 484.46 | C25H24O10 | CC(=O)OCC1OC(OCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=CC1O |
|
AD16506 | 3.32 | 303.23 | C11H15ON2SBr | CSCCCNC(=O)Nc1ccc(Br)cc1 |
|
AD16507 | 2.17 | 209.31 | C11H15ONS | CSCCCNC(=O)c1ccccc1 |
|
AD16508 | -0.26 | 126.16 | C6H10ON2 | NC(=O)C1=CNCCC1 |
|
AD16509 | 3.42 | 421.05 | C15H7O2N3Br2 | O=C1Nc2ccc(Br)cc2C1=C1C(=O)Nc2ncc(Br)cc21 |
|
AD16510 | 4.54 | 528.36 | C27H18O4N3Br | O=C(NCC#Cc1ccc2c(c1)C(=C1C(=O)Nc3ccc(Br)cc31)C(=O)N2)OCc1ccccc1 |