Glycoside
GD127458
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 8-hydroxy-2,7-dimethylocta-4,6-dienoateFormula:
C16H26O8Smiles:
CC(=CC=CCC(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COAglycone:
CC(=CC=CCC(C)C(=O)O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD29380
Formula: C10H16O3
Smiles:
CC(=CC=CCC(C)C(=O)O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
