Glycoside
GD022296
Name:
NoneFormula:
C19H20O9NClSmiles:
CCOc1c(Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c(=O)c1=OAglycone:
CCOc1c(Nc2ccc(O)c(Cl)c2)c(=O)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.81 | Num_heavy_atoms: | 29 |
| TPSA: | 154.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD15135
Formula: C13H10O4NCl
Smiles:
CCOc1c(Nc2ccc(O)c(Cl)c2)c(=O)c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.67 | Num_heavy_atoms: | 18 |
| TPSA: | 75.63 | NumAromaticRings: | 2 |
