Glycoside
GD151014
Name:
3,5,5-trimethyl-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-oneFormula:
C17H28O7Smiles:
CC1=CC(=O)CC(C)(C)C1CCOC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.4 | Num_heavy_atoms: | 24 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD60267
Formula: C11H18O2
Smiles:
CC1=CC(=O)CC(C)(C)C1CCO| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.26 | Num_heavy_atoms: | 13 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
