Glycoside
GD145547
Name:
6-0-Acetyl2-0-Octadecanoy 1-Alpha ,Alpha-D-TrehaloseFormula:
C32H58O13Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC1C(OC2OC(CO)C(O)C(O)C2O)OC(COC(C)=O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 22 |
| MolWt: | 650.8 | Num_heavy_atoms: | 45 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02455
Formula: C18H36O2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 284.48 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
