natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119902 | 1.68 | 1071.31 | C55H90O20 | CCOC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(C)C(O)C(O)C6O)C5OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)CCC4(C)C3CCC12C |
|
GD119903 | -0.63 | 540.52 | C25H32O13 | CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OC |
|
GD119904 | -2.73 | 525.47 | C21H27O11N5 | CC(C(N)C(O)=NC(C(=O)O)C1OC(n2cc(CO)c(O)nc2=O)C(O)C1O)C(O)c1ccc(O)cn1 |
|
GD119905 | -0.93 | 480.47 | C23H28O11 | COc1ccc(C(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)cc1 |
|
GD119906 | -0.57 | 270.28 | C12H18O5N2 | C#CCN=C(O)CC1OC(CN=C(C)O)C(O)C1O |
|
GD119907 | -3.55 | 464.56 | C20H40O8N4 | CNC1C(O)C(OC2C(O)CC(N)C(OC3OC(C(C)N)CCC3N)C2O)OCC1(C)O |
|
GD119908 | 20.9 | 1460.18 | C82H154O18S | CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OS(=O)(=O)O)C(O)C1O |
|
GD119909 | 0.85 | 1042.99 | C47H62O26 | CC(=O)OCC1OC(OC2CC(OC(C)=O)C3C(=O)C(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C(C4CC=C(OC(C)=O)CC4)OC3C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
|
GD119910 | 1.05 | 554.5 | C28H26O12 | O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)c(Cc3ccc(O)cc3)c(O)c12 |
|
GD119911 | 3.27 | 1004.99 | C54H52O19 | OCC1OC(Oc2ccc(C=Cc3cc(O)c4c(c3)OC(c3ccc(O)cc3)C4c3cc(O)c4c(c3)OC(c3ccc(OC5OC(CO)C(O)C(O)C5O)cc3)C4c3cc(O)cc(O)c3)cc2)C(O)C(O)C1O |