Glycoside
GD041527
Name:
NoneFormula:
C7H12O7Smiles:
COC(=O)/C(O)=C(\O)[C@H](O)[C@H](O)COAglycone:
COC(=O)COSugarmoiety:
O=C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.17 | Num_heavy_atoms: | 14 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD09952
Formula: C3H6O3
Smiles:
COC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
