aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03681 | 3.89 | 426.42 | C23H22O8 | COCc1c(C(=O)OC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1O |
|
AD03682 | 1.65 | 268.26 | C13H10O2N5 | COc1ccc(C(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD03683 | 2.83 | 809.01 | C41H68O12N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=CNC(C)Cc2ccc([N+](=O)[O-])cc2)CC(C)NC(=O)C(C)C(O)C1(C)O |
|
AD03684 | 4.47 | 3225.64 | C97H127O56N29P10S10 | Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O |
|
AD03685 | 0.89 | 244.08 | C5H10O7P2 | C#CCCOP(=O)(O)OP(=O)(O)OC |
|
AD03686 | -0.44 | 155.16 | C6H9O2N3 | CCON=c1cc[nH]c(=O)[nH]1 |
|
AD03687 | 1.33 | 203.25 | C11H13ON3 | OCCCn1cc(-c2ccccc2)nn1 |
|
AD03688 | 3.11 | 388.16 | C16H9O2N2I | O=C1Nc2ccccc2C1=C1C(=O)Nc2ccc(I)cc21 |
|
AD03689 | -0.56 | 104.15 | C4H12ON2 | CN(C)CCON |
|
AD03690 | -0.48 | 163.16 | C6H7N6 | CNC1=Nc2c(N)ncnc2[N]1 |