Glycoside
GD018712
Name:
NoneFormula:
C20H18O8ClSmiles:
O=C([O-])c1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)cc1Aglycone:
O=C([O-])c1ccc(-c2ccc(O)c(Cl)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.8 | Num_heavy_atoms: | 28 |
| TPSA: | 139.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD13150
Formula: C14H8O3Cl
Smiles:
O=C([O-])c1ccc(-c2ccc(O)c(Cl)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.66 | Num_heavy_atoms: | 17 |
| TPSA: | 60.36 | NumAromaticRings: | 2 |
