Glycoside
GD061949
Name:
Thymoquinol 2-O-Beta-GlucopyranosideFormula:
C16H24O7Smiles:
Cc1cc(O)c(C(C)C)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cc(O)c(C(C)C)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.36 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD30274
Formula: C10H14O2
Smiles:
Cc1cc(O)c(C(C)C)cc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
