Glycoside
GD123907
Name:
GlucoerucinFormula:
C12H23O9NS3Smiles:
CSCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CSCCCCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 421.52 | Num_heavy_atoms: | 25 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD50030
Formula: C6H13O4NS3
Smiles:
CSCCCCC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 259.37 | Num_heavy_atoms: | 14 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
