Glycoside
GD017902
Name:
1-(octadeca-9,12-dienoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl octadeca-9,12,15-trienoateFormula:
C45H76O10Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC=CCC=CCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 8.66 | Num_rotatable_bonds: | 34 |
| MolWt: | 777.09 | Num_heavy_atoms: | 55 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD12722
Formula: C39H66O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 10.84 | Num_rotatable_bonds: | 31 |
| MolWt: | 614.95 | Num_heavy_atoms: | 44 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
