Glycoside
GD140249
Name:
4-Phenylbutyl GlucosinolateFormula:
C17H25O9NS2Smiles:
O=S(=O)(O)ON=C(CCCCc1ccccc1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)ON=C(S)CCCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.52 | Num_heavy_atoms: | 29 |
| TPSA: | 166.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD56552
Formula: C11H15O4NS2
Smiles:
O=S(=O)(O)ON=C(S)CCCCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 289.38 | Num_heavy_atoms: | 18 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
