Glycoside
GD038246
Name:
[(3s,4r,5r)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-d-mannopyranosideFormula:
C12H23O7NSSmiles:
OC[C@H]1O[C@H](SC[C@@H]2CNC[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OC1CNCC(CS)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 325.38 | Num_heavy_atoms: | 21 |
| TPSA: | 142.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD23928
Formula: C6H13O2NS
Smiles:
OC1CNCC(CS)C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 52.49 | NumAromaticRings: | 0 |
