Glycoside
GD116436
Name:
(2E)-2,6-Dimethyl-2,5-Heptadienoic Acid Beta-D-Glucopyranosyl EsterFormula:
C15H24O7Smiles:
CC(C)=CCC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.35 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46233
Formula: C9H14O2
Smiles:
CC(C)=CCC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
