natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD116952 | 5.96 | 1233.52 | C60H113O23P | CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCC(C)CCCCCCCC |
|
GD116953 | 0.64 | 514.62 | C28H38O7N2 | CC1CN2C(=O)C=CC=CC=CC(C)(O)C(OC3OCC(O)C(O)C3N)C=CC=CC=CC=CC2C1O |
|
GD116954 | 0.0 | 757.8 | C38H43O10N7 | CNC(=N)NCc1c(CCc2ccc(=N)[nH]c2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CCc4cc[nH]c(=N)c4)C(O)C3O)cc(OC)cc1C2=O |
|
GD116955 | -0.3 | 480.42 | C22H24O12 | COc1c(O)cc2c(c1O)C(=O)CC(c1cc(O)ccc1OC1OC(CO)C(O)C(O)C1O)O2 |
|
GD116956 | 1.67 | 566.52 | C29H26O12 | OCC1OC(Oc2c3cc(=C4C=C[C](O)C=C4)oc4cc(O)cc([oH+]c2-c2ccc(O)c(O)c2)c4-3)C(O)C(O)C1O |
|
GD116957 | 0.41 | 756.93 | C39H64O14 | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C(O)C5(C)C4CCC3(C)C1C2C |
|
GD116958 | 3.54 | 532.63 | C29H40O9 | CCCCCCC(=O)c1c(C2CCCC2)cc2cc(OC)cc(OC3OC(CO)C(O)C(O)C3O)c2c1O |
|
GD116959 | -5.52 | 472.44 | C18H32O14 | CC1OC(OC2C(O)C(C)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O |
|
GD116960 | 0.46 | 1439.56 | C70H102O31 | COc1cc(C=CC(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(OC3OC(C)C(O)C(OC(C)=O)C3O)C2OC2OC(COC(C)=O)C(O)C(O)C2O)cc(OC)c1OC |
|
GD116961 | 0.2 | 1041.19 | C52H80O21 | COC1C(O)C(OC2CCC3(C)C(CCC4(O)C3CCC3(C)C(C(C)OC(=O)CC(C)C)CC(OC(=O)c5ccccc5)C34O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |