Glycoside
GD125242
Name:
ethyl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoateFormula:
C12H22O8Smiles:
CCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 294.3 | Num_heavy_atoms: | 20 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD41007
Formula: C6H12O3
Smiles:
CCOC(=O)CC(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
