Glycoside
GD116706
Name:
2-(4-Methoxyphenyl)-2,2-Dimethylethyl GlucosinolateFormula:
C18H27O10NS2Smiles:
COc1ccc(C(C)(C)CC(=NOS(=O)(=O)O)SC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(C(C)(C)CC(S)=NOS(=O)(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.55 | Num_heavy_atoms: | 31 |
| TPSA: | 175.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD46394
Formula: C12H17O5NS2
Smiles:
COc1ccc(C(C)(C)CC(S)=NOS(=O)(=O)O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 319.4 | Num_heavy_atoms: | 20 |
| TPSA: | 85.19 | NumAromaticRings: | 1 |
