Glycoside
GD151571
Name:
N-Propyl GlucosinolateFormula:
C10H19O9NS2Smiles:
CCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.39 | Num_heavy_atoms: | 22 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD48057
Formula: C4H9O4NS2
Smiles:
CCCC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 199.25 | Num_heavy_atoms: | 11 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
