Glycoside
GD143905
Name:
4,5-dimethyl 3-(2-hydroxyethylidene)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4,5-dicarboxylateFormula:
C17H24O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1C(=O)OCAglycone:
COC(=O)C1=COC(O)C(=CCO)C1C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD57854
Formula: C11H14O7
Smiles:
COC(=O)C1=COC(O)C(=CCO)C1C(=O)OC| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.23 | Num_heavy_atoms: | 18 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
