Glycoside
GD043603
Name:
NoneFormula:
C8H15O5NS2Smiles:
CN1C[C@@](O)([C@@H](O)[C@H](O)[C@H](O)CO)SC1=SAglycone:
CN1CC(O)SC1=SSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 269.34 | Num_heavy_atoms: | 16 |
| TPSA: | 104.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD16008
Formula: C4H7ONS2
Smiles:
CN1CC(O)SC1=S| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.24 | Num_heavy_atoms: | 8 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
