Glycoside
GD037976
Name:
trehalose mono-butyrateFormula:
C16H28O12Smiles:
CCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CCCC(=O)OCSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.39 | Num_heavy_atoms: | 28 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
