Glycoside
GD066217
Name:
NoneFormula:
C13H23O8NSSmiles:
O=C(NCCC1CCS(=O)(=O)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NCCC1CCS(=O)(=O)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 353.39 | Num_heavy_atoms: | 23 |
| TPSA: | 161.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD31756
Formula: C7H15O2NS
Smiles:
NCCC1CCS(=O)(=O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.27 | Num_heavy_atoms: | 11 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
