Glycoside
GD027036
Name:
NoneFormula:
C20H18O6NClSmiles:
N#Cc1ccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)cc1Aglycone:
N#Cc1ccc(-c2ccc(O)c(Cl)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 391.81 | Num_heavy_atoms: | 27 |
| TPSA: | 123.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD00380
Formula: C14H8ONCl
Smiles:
N#Cc1ccc(-c2ccc(O)c(Cl)c2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 229.67 | Num_heavy_atoms: | 16 |
| TPSA: | 44.02 | NumAromaticRings: | 2 |
