Glycoside
GD014146
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl octadeca-2,9-dienoateFormula:
C27H48O9Smiles:
CCCCCCCCC=CCCCCCC=CC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCC=CCCCCCC=CC(=O)OCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 20 |
| MolWt: | 516.67 | Num_heavy_atoms: | 36 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD02340
Formula: C21H38O4
Smiles:
CCCCCCCCC=CCCCCCC=CC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 17 |
| MolWt: | 354.53 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
