Glycoside
GD042774
Name:
NoneFormula:
C10H19O5NS2Smiles:
CCCN1C[C@@](O)([C@@H](O)[C@H](O)[C@H](O)CO)SC1=SAglycone:
CCCN1CC(O)SC1=SSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 297.4 | Num_heavy_atoms: | 18 |
| TPSA: | 104.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD24871
Formula: C6H11ONS2
Smiles:
CCCN1CC(O)SC1=S| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.29 | Num_heavy_atoms: | 10 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
