Glycoside
GD104202
Name:
3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl hexadeca-7,10,13-trienoateFormula:
C25H42O9Smiles:
CC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
CCC=CCC=CCC=CCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 17 |
| MolWt: | 486.6 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD43976
Formula: C19H32O4
Smiles:
CCC=CCC=CCC=CCCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 14 |
| MolWt: | 324.46 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
