Glycoside
GD119707
Name:
2,3,4,5,6-pentahydroxyhexyl octadeca-9,12-dienoateFormula:
C24H44O7Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)C(O)C(O)C(O)COAglycone:
CCCCCC=CCC=CCCCCCCCC=OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 20 |
| MolWt: | 444.61 | Num_heavy_atoms: | 31 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48012
Formula: C18H32O
Smiles:
CCCCCC=CCC=CCCCCCCCC=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.72 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 264.45 | Num_heavy_atoms: | 19 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
