Glycoside
GD157845
Name:
Gymnasterkoreaside AFormula:
C16H22O7Smiles:
CC=CC#CC#CC(O)CCOC1OC(CO)C(O)C(O)C1OAglycone:
CC=CC#CC#CC(O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.34 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD48646
Formula: C10H12O2
Smiles:
CC=CC#CC#CC(O)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
