Glycoside
GD143285
Name:
methyl 2-[3-(benzyloxy)-4,5-dihydroxyoxolan-2-yl]-2-hydroxyacetateFormula:
C14H18O7Smiles:
COC(=O)C(O)C1OC(O)C(O)C1OCc1ccccc1Aglycone:
COC(=O)CO.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 298.29 | Num_heavy_atoms: | 21 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD09952
Formula: C3H6O3
Smiles:
COC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
