Glycoside
GD120828
Name:
2-[(10-hydroxydeca-2,8-dien-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H20O7Smiles:
OCC=CC#CC#CC=CCOC1OC(CO)C(O)C(O)C1OAglycone:
OCC=CC#CC#CC=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 324.33 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD48583
Formula: C10H10O2
Smiles:
OCC=CC#CC#CC=CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
