natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD117782 | 18.69 | 1875.28 | C94H157O25N9P2 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=N)O)C1N=C(C)O |
|
GD117783 | 2.43 | 823.82 | C42H47O17 | C=CCC(=C)OCC1CC(O)C(O)C(Oc2cc(O)cc3c2C=C(OC2OC(COC(=O)C=Cc4ccc([OH2+])cc4)C(O)C(O)C2O)C(c2cc(C)c(O)c(O)c2)O3)O1 |
|
GD117784 | -1.29 | 540.52 | C25H32O13 | COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1 |
|
GD117785 | 1.44 | 740.93 | C39H64O13 | CC1CCOC2(C1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
|
GD117786 | -1.87 | 1091.25 | C53H86O23 | CC1OC(OC2C(CO)OC(O)(OCC3OC(O)(OC(=O)C4CC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OCC(O)C(O)C9O)C(C)(C)C8CCC7(C)C6(C)CCC45)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD117787 | -1.91 | 788.88 | C38H60O17 | C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C3 |
|
GD117788 | -6.88 | 541.55 | C21H39O13N3 | CNC1C(OC2OC(CO)C(O)C(O)C2O)OC2CC(N)C(OC3C(O)CC(N)C(O)C3O)OC2C1O |
|
GD117789 | -1.03 | 959.13 | C48H78O19 | CC1OC(OC2C(OC(=O)C3CC4(C)C(=CCC5C6(C)CC(O)C(O)C(C)(CO)C6CCC54C)C4CC(C)(C)CCC34)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD117790 | -6.88 | 1094.97 | C46H62O30 | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)ccc1O |
|
GD117791 | -1.88 | 474.5 | C22H34O11 | Cc1ccc(C(C)C)cc1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |