Glycoside
GD099738
Name:
NoneFormula:
C22H22O9NClSmiles:
Cc1cc(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)n(C)c1C(=O)c1ccc(Cl)cc1Aglycone:
Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.86 | Num_heavy_atoms: | 32 |
| TPSA: | 155.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD42311
Formula: C16H14O3NCl
Smiles:
Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.73 | Num_heavy_atoms: | 20 |
| TPSA: | 59.3 | NumAromaticRings: | 2 |
