Glycoside
GD012722
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-6,9,12,15-tetraenoateFormula:
C27H44O9Smiles:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 18 |
| MolWt: | 512.64 | Num_heavy_atoms: | 36 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD09560
Formula: C21H34O4
Smiles:
CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 15 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
