Glycoside
GD120767
Name:
6-[(2-ethylbutanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C12H20O8Smiles:
CCC(CC)C(=O)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CCC(CC)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.28 | Num_heavy_atoms: | 20 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD48553
Formula: C6H12O2
Smiles:
CCC(CC)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
