Glycoside
GD123134
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl hexadeca-4,7,10,13-tetraenoateFormula:
C25H40O9Smiles:
CCC=CCC=CCC=CCC=CCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCC=CCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 16 |
| MolWt: | 484.59 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49668
Formula: C19H30O4
Smiles:
CCC=CCC=CCC=CCC=CCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 13 |
| MolWt: | 322.45 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
