Glycoside
GD026961
Name:
2,6-dimethyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]octa-2,7-dienoic acidFormula:
C16H26O7Smiles:
C=CC(C)(CCC=C(C)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(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 330.38 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01642
Formula: C10H16O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
