Glycoside
GD083383
Name:
NoneFormula:
C19H22O8NClSmiles:
O=C(/C=C(\O)c1ccc(Cl)cc1)CCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CCC(=O)C=C(O)c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.83 | Num_heavy_atoms: | 28 |
| TPSA: | 156.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD37224
Formula: C13H12O3NCl
Smiles:
NC(=O)CCC(=O)C=C(O)c1ccc(Cl)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.69 | Num_heavy_atoms: | 17 |
| TPSA: | 80.39 | NumAromaticRings: | 1 |
