Glycoside
GD134395
Name:
3,4,5-Trimethoxybenzyl GlucosinolateFormula:
C17H25O12NS2Smiles:
COc1cc(CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COc1cc(CC(S)=NOS(=O)(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 499.52 | Num_heavy_atoms: | 32 |
| TPSA: | 193.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD54372
Formula: C11H15O7NS2
Smiles:
COc1cc(CC(S)=NOS(=O)(=O)O)cc(OC)c1OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 337.38 | Num_heavy_atoms: | 21 |
| TPSA: | 103.65 | NumAromaticRings: | 1 |
