Glycoside
GD030277
Name:
NoneFormula:
C32H36O6Smiles:
C#CCCCOC1O[C@H](CO)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
C#CCCCO.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 14 |
| MolWt: | 516.63 | Num_heavy_atoms: | 38 |
| TPSA: | 66.38 | 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 |
AD19596
Formula: C5H8O
Smiles:
C#CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 84.12 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
