Glycoside
GD148789
Name:
GriselinosideFormula:
C18H24O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C(=O)OC)CC(=O)C12Aglycone:
COC(=O)C1=COC(O)C2C(C(=O)OC)CC(=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.38 | Num_heavy_atoms: | 30 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD56369
Formula: C12H14O7
Smiles:
COC(=O)C1=COC(O)C2C(C(=O)OC)CC(=O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.24 | Num_heavy_atoms: | 19 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
