Glycoside
GD124028
Name:
2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H28O9Smiles:
COc1ccc(CCc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)cc1OCAglycone:
COc1ccc(CCc2cc(O)cc(O)c2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 138.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD50076
Formula: C16H18O4
Smiles:
COc1ccc(CCc2cc(O)cc(O)c2)cc1OC| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 58.92 | NumAromaticRings: | 2 |
