Glycoside
GD127350
Name:
2-Methoxybenzyl GlucosinolateFormula:
C15H21O10NS2Smiles:
COc1ccccc1CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
COc1ccccc1CC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.46 | Num_heavy_atoms: | 28 |
| TPSA: | 175.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD51572
Formula: C9H11O5NS2
Smiles:
COc1ccccc1CC(S)=NOS(=O)(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 277.32 | Num_heavy_atoms: | 17 |
| TPSA: | 85.19 | NumAromaticRings: | 1 |
