Glycoside
GD019053
Name:
NoneFormula:
C22H22O8NClSmiles:
O=C(CN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1ccc(C(=O)c2ccccc2Cl)cc1Aglycone:
NCC(=O)Oc1ccc(C(=O)c2ccccc2Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.86 | Num_heavy_atoms: | 31 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD13348
Formula: C16H12O3NCl
Smiles:
NCC(=O)Oc1ccc(C(=O)c2ccccc2Cl)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.72 | Num_heavy_atoms: | 20 |
| TPSA: | 69.39 | NumAromaticRings: | 2 |
