Glycoside
GD021483
Name:
NoneFormula:
C15H20O5N2SSmiles:
Cc1c(C)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#NAglycone:
Cc1[nH]c(=S)c(C#N)c(C)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.4 | Num_heavy_atoms: | 23 |
| TPSA: | 118.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD14688
Formula: C9H10N2S
Smiles:
Cc1[nH]c(=S)c(C#N)c(C)c1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.26 | Num_heavy_atoms: | 12 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
