Glycoside
GD125156
Name:
1-Pentenyl GlucosinolateFormula:
C12H21O9NS2Smiles:
CCCC=CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CCCC=CC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 387.43 | Num_heavy_atoms: | 24 |
| TPSA: | 166.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD50611
Formula: C6H11O4NS2
Smiles:
CCCC=CC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 225.29 | Num_heavy_atoms: | 13 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
