aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17431 | 3.39 | 377.36 | C20H15O5N3 | CCCC(=O)c1ccc2c(c1)C(=C1C(=O)Nc3cc([N+](=O)[O-])ccc31)C(=O)N2 |
|
AD17432 | 3.42 | 330.38 | C19H22O5 | O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 |
|
AD17433 | 0.14 | 300.35 | C15H24O6 | OC1OC2COC3(OC2C(O)C1O)C1CCCC3CCC1 |
|
AD17434 | 7.8 | 532.88 | C32H56O2N2S | CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCSCCCNC(C)=O |
|
AD17435 | 2.85 | 328.35 | C15H25O4N2P | CCCCNP(=O)(NC(C)C(=O)OCc1ccccc1)OC |
|
AD17436 | 0.82 | 148.16 | C8H8ON2 | C=Cc1cccnc1C(N)=O |
|
AD17437 | 2.03 | 172.03 | C6H6NBr | Nc1ccc(Br)cc1 |
|
AD17438 | -3.28 | 1951.36 | C61H84O33N30P6 | COP(N)(=O)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(N)(=O)OC1CC(COP(N)(=O)OC2CC(n3cc(C)c(=O)[nH]c3=O)OC2COP(N)(=O)OC2CC(n3cc(C)c(=O)[nH]c3=O)OC2COP(N)(=O)OC2CC(n3cnc4c(=O)[nH]c(N)nc43)OC2COP(N)(=O)OC2CC(n3cnc4c(=O)[nH]c(N)nc43)OC2CO)OC1n1cnc2c(=O)[nH]c(N)nc21 |
|
AD17439 | -4.84 | 2568.77 | C80H109O44N39P8 | Cc1cn(C2CC(OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3O)C(COP(N)(=O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(N)(=O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(N)(=O)O)O2)c(=O)[nH]c1=O |
|
AD17440 | 7.6 | 895.08 | C53H54O4N10 | CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc([nH]3)C(c3ccccc3O)c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc2[nH]3)cc1 |