Glycoside
GD014450
Name:
NoneFormula:
C20H19O10ClSmiles:
O=C(CC(=O)c1cc(Cl)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1O)c1ccco1Aglycone:
O=C(CC(=O)c1cc(Cl)c(O)cc1O)c1ccco1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.8 | Num_heavy_atoms: | 30 |
| TPSA: | 166.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD10622
Formula: C14H9O5Cl
Smiles:
O=C(CC(=O)c1cc(Cl)c(O)cc1O)c1ccco1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 280.66 | Num_heavy_atoms: | 19 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
