Glycoside
GD070590
Name:
(6R,9S)-3-Oxo-Alpha-Ionol Beta-D-GlucosideFormula:
C19H30O7Smiles:
CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC1=CC(=O)CC(C)(C)C1C=CC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.44 | Num_heavy_atoms: | 26 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD03070
Formula: C13H20O2
Smiles:
CC1=CC(=O)CC(C)(C)C1C=CC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.3 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
