Glycoside
GD018998
Name:
NoneFormula:
C16H22O5N2SSmiles:
CCc1c(C)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1CAglycone:
CCc1c(C)[nH]c(=S)c(C#N)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.43 | Num_heavy_atoms: | 24 |
| TPSA: | 118.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD06428
Formula: C10H12N2S
Smiles:
CCc1c(C)[nH]c(=S)c(C#N)c1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.29 | Num_heavy_atoms: | 13 |
| TPSA: | 39.58 | NumAromaticRings: | 1 |
