Glycoside
GD092868
Name:
NoneFormula:
C21H18O8Cl2Smiles:
O=C1/C(=C\C=C(Cl)Cl)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)c2ccccc21Aglycone:
O=C1C(=CC=C(Cl)Cl)C(O)C(=O)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.25 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD40374
Formula: C15H8O3Cl2
Smiles:
O=C1C(=CC=C(Cl)Cl)C(O)C(=O)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 283.11 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
