Glycoside
GD001175
Name:
NoneFormula:
C12H18O11Smiles:
O=C1C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@H]2O)=C(O)O[C@H]1[C@H](O)COAglycone:
O=C1C(O)=C(O)OC1C(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -4.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.27 | Num_heavy_atoms: | 23 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD01224
Formula: C6H8O6
Smiles:
O=C1C(O)=C(O)OC1C(O)CO| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.12 | Num_heavy_atoms: | 12 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
