natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD118372 | 2.22 | 847.99 | C41H69O17N | CN1C(=O)C(=C(O)CCCCCCCCCCCCCCCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=O)C1CC(=O)O |
|
GD118373 | 2.79 | 755.0 | C41H70O12 | CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C |
|
GD118374 | 3.76 | 1149.35 | C54H101O23P | CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
|
GD118375 | -2.27 | 1091.2 | C52H82O24 | CC(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(OC(C)=O)C2O |
|
GD118376 | -0.56 | 843.74 | C39H41O20N | COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(O)c1C2=O)C(O)C(OC1OC(C)C(O)C(OC2OCC(O)C(O)C2O)C1O)c1cc(C)c(C(O)=NC(C)C(=O)O)c(O)c1-3 |
|
GD118377 | 2.88 | 1108.39 | C58H89O14N7 | CC1(CO)CCC2(C(=O)O)C(C1)C1=CCC34CCCC1(C1Cc5nc[nH]c5NCC12)C3(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(O)C(CC2C(C(CCC(N)O)c3cnc[nH]3)N=C(O)C2(CO)CCCO)C14C |
|
GD118378 | 8.05 | 780.12 | C40H77O11NS | CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)N=C(O)CCCCCCCCCCCCCCC |
|
GD118379 | 1.59 | 973.16 | C49H80O19 | COC1CC(OC2C(C)OC(OC3CCC4(C)C(C=CC5C4CCC4(C)C5CCC4(O)C(C)OC4CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C3)C(O)C2OC)OC(C)C1OC(C)=O |
|
GD118380 | -1.05 | 178.18 | C7H14O5 | CC(O)C(O)(C(=O)O)C(C)(C)O |
|
GD118381 | -0.86 | 594.57 | C28H34O14 | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)cc3O2)cc1 |