Glycoside
GD061687
Name:
NoneFormula:
C14H18O5N2SSmiles:
Cc1cc(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1CAglycone:
Cc1cc(C#N)c(=S)[nH]c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.37 | Num_heavy_atoms: | 22 |
| TPSA: | 118.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD10280
Formula: C8H8N2S
Smiles:
Cc1cc(C#N)c(=S)[nH]c1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.23 | Num_heavy_atoms: | 11 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
