Glycoside
GD124524
Name:
2-Hydroxypropyl GlucosinolateFormula:
C10H19O10NS2Smiles:
CC(O)CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 377.39 | Num_heavy_atoms: | 23 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD50308
Formula: C4H9O5NS2
Smiles:
CC(O)CC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 215.25 | Num_heavy_atoms: | 12 |
| TPSA: | 96.19 | NumAromaticRings: | 0 |
