Glycoside
GD004144
Name:
N-Phenyl GlucosinolateFormula:
C13H17O9NS2Smiles:
O=S(=O)(O)ON=C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
O=S(=O)(O)ON=C(S)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.41 | Num_heavy_atoms: | 25 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD03662
Formula: C7H7O4NS2
Smiles:
O=S(=O)(O)ON=C(S)c1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 233.27 | Num_heavy_atoms: | 14 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
