aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24661 | -3.52 | 349.32 | C11H15O8N3S | O=CNS(=O)(=O)CC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O |
|
AD24662 | 0.38 | 338.35 | C13H14O5N4S | Cc1cc2c(cc1C)N(S(=O)(=O)O)C1C(=O)NC(=O)N=C1N2C |
|
AD24663 | -0.3 | 216.22 | C7H8O4N2S | COS(=O)(=O)NC(=O)c1cccnc1 |
|
AD24664 | 3.01 | 317.12 | C9H18O5PBr | COP(=O)(O)OC(=O)CCCCCCCBr |
|
AD24665 | 0.48 | 167.16 | C8H9O3N | NC(C(=O)O)c1ccc(O)cc1 |
|
AD24666 | 2.77 | 947.11 | C43H70O17N4S | CONC1CC(C)OC(OC2C(C)CC(C)(OC(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)C(C)C(OC(=O)CC(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(O)C2C)C1O |
|
AD24667 | 3.48 | 870.01 | C41H67O15N5 | CON=C1CC(C)OC(OC2C(C)CC(C)(OC(=O)NCCn3c([N+](=O)[O-])cnc3C)C(=O)C(C)C(OC(=O)CC(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(O)C2C)C1O |
|
AD24668 | -4.24 | 409.46 | C16H32O6N5F | NCC1CCC(N)C(OC2C(N)CC(NC(=O)C(O)C(F)CN)C(O)C2O)O1 |
|
AD24669 | 0.14 | 179.29 | C7H17O2NS | COC(=O)C(N)CC[SH](C)C |
|
AD24670 | 10.84 | 900.08 | C43H83O14NP2 | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(O)(O)(OCC(N)C(=O)O)OP(=O)(O)OC)OC(=O)CCCCCCCC=CCCCCCCCC |