Glycoside
GD127076
Name:
4-Benzoyloxybutyl GlucosinolateFormula:
C18H25O11NS2Smiles:
O=C(OCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(OCCCCC(S)=NOS(=O)(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 495.53 | Num_heavy_atoms: | 32 |
| TPSA: | 192.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD51441
Formula: C12H15O6NS2
Smiles:
O=C(OCCCCC(S)=NOS(=O)(=O)O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 333.39 | Num_heavy_atoms: | 21 |
| TPSA: | 102.26 | NumAromaticRings: | 1 |
