Glycoside
GD146308
Name:
3-(octadeca-9,12,15-trienoyloxy)-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)propyl octadeca-9,12,15-trienoateFormula:
C46H76O10Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)COC(=O)CCCCCCCC=CCC=CCC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 8.68 | Num_rotatable_bonds: | 34 |
| MolWt: | 789.1 | Num_heavy_atoms: | 56 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD55181
Formula: C40H66O5
Smiles:
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)COC(=O)CCCCCCCC=CCC=CCC=CCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 10.86 | Num_rotatable_bonds: | 31 |
| MolWt: | 626.96 | Num_heavy_atoms: | 45 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
