Glycoside
GD129233
Name:
2-(Benzoyloxy)Ethyl GlucosinolateFormula:
C16H21O11NS2Smiles:
O=C(OCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(OCCC(S)=NOS(=O)(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 467.47 | Num_heavy_atoms: | 30 |
| TPSA: | 192.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD52357
Formula: C10H11O6NS2
Smiles:
O=C(OCCC(S)=NOS(=O)(=O)O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 305.33 | Num_heavy_atoms: | 19 |
| TPSA: | 102.26 | NumAromaticRings: | 1 |
