natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120122 | -0.25 | 1168.05 | C55H59O28 | COc1cc(C=CC(=O)OCC2OC(OC3=Cc4c(cc(O)cc4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)OC3c3ccc([OH2+])cc3)C(OC3OCC(O)C(O)C3OC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C2O)ccc1O |
|
GD120123 | -1.57 | 570.5 | C25H30O15 | COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC(=O)O)C1COC(=O)CCc1ccc(O)c(O)c1 |
|
GD120124 | 1.46 | 735.72 | C36H39O13N4 | NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(CC6=NC=NC6)C(O)C5O)c(OC5CCCC5)c4O)O3)cc2)=N1 |
|
GD120125 | 10.69 | 1008.18 | C48H87O15N3P2 | CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC |
|
GD120126 | -3.41 | 548.49 | C23H32O15 | COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc(OC)c1O |
|
GD120127 | 2.02 | 780.95 | C41H64O14 | CC1(C)CCC2(C(=O)OC3OCC(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD120128 | 3.16 | 1094.4 | C58H91O13N7 | CNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)C(CO)C(Cc5cnc[nH]5)C43C)C12C)C(N)O |
|
GD120129 | 4.32 | 616.83 | C33H60O10 | CCCCCCCCCCC(O)C(O)CCCCC(C)CC(C)C=C(C)C(=O)C(C)C(=O)OC(CO)C(O)C(O)C(=O)O |
|
GD120130 | 1.38 | 440.4 | C23H20O9 | O=c1cc(-c2cccc(OC3OC(CO)C(O)C(O)C3O)c2)oc2c1ccc1occc12 |
|
GD120131 | -4.4 | 698.75 | C31H48O13N5 | C=CC1C(OC2OC(CO)C(O)C(O)C2OCNC)OC=C(C(=O)OC)C1C=CC1=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(CCO)C1 |