Glycoside
GD142775
Name:
3,4-Dimethoxybenzyl GlucosinolateFormula:
C16H23O11NS2Smiles:
COc1ccc(CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(CC(S)=NOS(=O)(=O)O)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 469.49 | Num_heavy_atoms: | 30 |
| TPSA: | 184.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD57450
Formula: C10H13O6NS2
Smiles:
COc1ccc(CC(S)=NOS(=O)(=O)O)cc1OC| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.35 | Num_heavy_atoms: | 19 |
| TPSA: | 94.42 | NumAromaticRings: | 1 |
