Glycoside
GD010549
Name:
2-(octadeca-6,9,12,15-tetraenoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-3,6,9,12,15-pentaenoateFormula:
C45H68O10Smiles:
CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCCAglycone:
CCC=CCC=CCC=CCC=CCC=CCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 7.76 | Num_rotatable_bonds: | 30 |
| MolWt: | 769.03 | Num_heavy_atoms: | 55 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD08132
Formula: C39H58O5
Smiles:
CCC=CCC=CCC=CCC=CCC=CCC(=O)OCC(CO)OC(=O)CCCCC=CCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.49 |
| AlogP: | 9.94 | Num_rotatable_bonds: | 27 |
| MolWt: | 606.89 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
