Glycoside
GD145268
Name:
4-Hydroxy-3,5,5-Trimethyl-2-Cyclohexen-1-One; (R)-Form, O-β-D-GlucopyranosideFormula:
C15H24O7Smiles:
CC1=CC(=O)CC(C)(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.35 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD58325
Formula: C9H14O2
Smiles:
CC1=CC(=O)CC(C)(C)C1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
