Glycoside
GD119802
Name:
4,5,6,7-Tetrahydroxydecyl GlucosinolateFormula:
C16H31O13NS2Smiles:
CCC(O)C(O)C(O)C(O)CCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CCCC(S)=NOS(=O)(=O)OSugarmoiety:
CCC(O)C(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 12 |
| MolWt: | 509.55 | Num_heavy_atoms: | 32 |
| TPSA: | 247.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD48057
Formula: C4H9O4NS2
Smiles:
CCCC(S)=NOS(=O)(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 199.25 | Num_heavy_atoms: | 11 |
| TPSA: | 75.96 | NumAromaticRings: | 0 |
