Glycoside
GD086121
Name:
NoneFormula:
C20H19O5N2ClSSmiles:
Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(=S)n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.89 | Num_heavy_atoms: | 28 |
| TPSA: | 118.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD10235
Formula: C14H9N2ClS
Smiles:
Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(=S)[nH]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.75 | Num_heavy_atoms: | 17 |
| TPSA: | 39.58 | NumAromaticRings: | 2 |
