Glycoside
GD029274
Name:
NoneFormula:
C35H38O6Smiles:
CC#CCOC[C@@H]1OC(OCC#CC)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CC#CCO.CC#CCOC.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 554.68 | Num_heavy_atoms: | 41 |
| TPSA: | 55.38 | NumAromaticRings: | 3 |
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 |
AD16714
Formula: C4H6O
Smiles:
CC#CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 70.09 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD19060
Formula: C5H8O
Smiles:
CC#CCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 84.12 | Num_heavy_atoms: | 6 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
