natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD120202 | 6.1 | 999.22 | C49H91O18P | CCCCCCCCCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
|
GD120203 | -0.3 | 788.97 | C40H68O15 | COC1C(O)COC(OC2COC(OCC(C=CC(C)C3C(O)C(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(O)CC34O)C(C)C)C(O)C2OC)C1O |
|
GD120204 | 1.03 | 915.08 | C46H74O18 | CC=C(C)C(=O)OC1C(C)OC(OC2C(C)OC(OC3CCC4(C)C5CCC6(C)C(C(C)OC7OC(CO)C(O)C(O)C7O)CCC6(O)C5C(C=O)C4(O)C3)CC2OC)C(O)C1OC |
|
GD120205 | 1.27 | 840.88 | C44H48O13N4 | NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(Cc2cnc[nH]2)c1 |
|
GD120206 | -2.73 | 610.52 | C27H30O16 | O=c1c(OC2C(O)OC(CO)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)c(C3C(O)OC(CO)C(O)C3O)c(O)c12 |
|
GD120207 | -0.36 | 392.52 | C17H32O6N2S | CCCC1CNC(C(O)=NC(C(C)O)C2OC(SC)C(O)C(O)C2O)C1 |
|
GD120208 | -0.95 | 337.33 | C16H19O7N | O=C(Cc1c[nH]c2ccccc12)OCC1OC(O)C(O)C(O)C1O |
|
GD120209 | -8.57 | 664.4 | C18H34O22P2 | O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(COP(=O)(O)OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD120210 | 2.15 | 810.98 | C42H66O15 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6(O)OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C |
|
GD120211 | -2.61 | 391.42 | C11H21O10NS2 | O=S(=O)(O)[N+]([O-])=C(CCCCO)SC1OC(CO)C(O)C(O)C1O |