Glycoside
GD016007
Name:
2-(hydroxymethyl)-6-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octa-2,7-dienoic acidFormula:
C16H26O8Smiles:
C=CC(C)(CCC=C(CO)C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC(C)(O)CCC=C(CO)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD00308
Formula: C10H16O4
Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 200.23 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
