Glycoside
GD086221
Name:
2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl hexadecanoateFormula:
C22H42O6Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)OCCOSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 17 |
| MolWt: | 402.57 | Num_heavy_atoms: | 28 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD03556
Formula: C18H36O3
Smiles:
CCCCCCCCCCCCCCCC(=O)OCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 16 |
| MolWt: | 300.48 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
