Glycoside
GD131807
Name:
5,5-dimethyl-4-methylidene-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-oneFormula:
C16H24O7Smiles:
C=C1C(COC2OC(CO)C(O)C(O)C2O)=CC(=O)CC1(C)CAglycone:
C=C1C(CO)=CC(=O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.36 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD22465
Formula: C10H14O2
Smiles:
C=C1C(CO)=CC(=O)CC1(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
