Glycoside
GD119411
Name:
2-Hydroxy-3-ButenyldesulfoglucosinolateFormula:
C11H19O7NSSmiles:
C=CC(O)CC(=NO)SC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(O)CC(S)=NOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.34 | Num_heavy_atoms: | 20 |
| TPSA: | 142.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD47836
Formula: C5H9O2NS
Smiles:
C=CC(O)CC(S)=NO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 147.2 | Num_heavy_atoms: | 9 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
