Glycoside
GD010875
Name:
NoneFormula:
C28H40O6Smiles:
CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CCCCCCCCO.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 15 |
| MolWt: | 472.62 | Num_heavy_atoms: | 34 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
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 |
