Glycoside
GD123202
Name:
3-Hydroxy-6-(Methylsufonyl)Hexyl GlucosinolateFormula:
C14H27O12NS3Smiles:
CS(=O)(=O)CCCC(O)CCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1OAglycone:
CS(=O)(=O)CCCC(O)CCC(S)=NOS(=O)(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 497.57 | Num_heavy_atoms: | 30 |
| TPSA: | 220.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD49703
Formula: C8H17O7NS3
Smiles:
CS(=O)(=O)CCCC(O)CCC(S)=NOS(=O)(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 335.43 | Num_heavy_atoms: | 19 |
| TPSA: | 130.33 | NumAromaticRings: | 0 |
