natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD117742 | 10.34 | 782.2 | C46H87O8N | CCCC=CCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCC |
|
GD117743 | -0.24 | 1102.28 | C54H87O22N | CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O |
|
GD117744 | 0.85 | 969.04 | C47H68O21 | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C=O)C5CCC43C)C2C1 |
|
GD117745 | -2.11 | 474.46 | C21H30O12 | COc1cc(C=CC(=O)OCC2OC(OCC(O)C(C)(O)CO)C(O)C(O)C2O)ccc1O |
|
GD117746 | 4.59 | 1198.58 | C61H115O21N | CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)C(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O)C(O)C(O)CCCCCCCCCCC(C)C |
|
GD117747 | 3.19 | 720.9 | C39H60O12 | COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(COC(C)=O)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC21C |
|
GD117748 | 1.06 | 586.55 | C29H30O13 | C=CC1C(OC2OC(CO)C(O)C(O)C2OC(=O)c2cc(O)cc(O)c2-c2cccc(O)c2)OC=C2C(=O)OCCC21 |
|
GD117749 | 0.03 | 340.28 | C15H16O9 | CCOC(=O)C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O |
|
GD117750 | 8.64 | 1102.24 | C61H71O16N3 | CC(=O)OC1C(C)OC(OC2C(N=C(C)O)C(OCc3ccccc3)OC3COC(c4ccccc4)OC32)C(N=C(C)O)C1OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1N=C(C)O |
|
GD117751 | 3.7 | 778.98 | C42H66O13 | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(O)C1OC1OC(CO)C(O)C1O |