Glycoside
GD007687
Name:
NoneFormula:
C21H22O7NClSmiles:
CNC(=O)c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1Aglycone:
CNC(=O)c1cccc(-c2ccc(O)c(Cl)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.85 | Num_heavy_atoms: | 29 |
| TPSA: | 128.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD06231
Formula: C15H12O2NCl
Smiles:
CNC(=O)c1cccc(-c2ccc(O)c(Cl)c2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.71 | Num_heavy_atoms: | 18 |
| TPSA: | 49.33 | NumAromaticRings: | 2 |
