Glycoside
GD125450
Name:
Ketologanic AcidFormula:
C16H22O10Smiles:
CC1C(=O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1C(=O)CC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50741
Formula: C10H12O5
Smiles:
CC1C(=O)CC2C(C(=O)O)=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
