Glycoside
GD039939
Name:
(2e,4r,5s)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acidFormula:
C22H40O8Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H](O)C(O)=C(O)C(=O)OAglycone:
CCCCCCCCCCCCCCCC=O.O=C(O)COSugarmoiety:
O=C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 19 |
| MolWt: | 432.55 | Num_heavy_atoms: | 30 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD24599
Formula: C16H32O
Smiles:
CCCCCCCCCCCCCCCC=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 240.43 | Num_heavy_atoms: | 17 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
