Glycoside
GD143129
Name:
DesulfobenzylglucosinolateFormula:
C14H19O6NSSmiles:
OCC1OC(SC(Cc2ccccc2)=NO)C(O)C(O)C1OAglycone:
ON=C(S)Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 329.37 | Num_heavy_atoms: | 22 |
| TPSA: | 122.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD57576
Formula: C8H9ONS
Smiles:
ON=C(S)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.23 | Num_heavy_atoms: | 11 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
