Glycoside
GD049764
Name:
NoneFormula:
C12H21O7NSSmiles:
CC(=O)SC[C@@H](C)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC(=O)SCC(C)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.37 | Num_heavy_atoms: | 21 |
| TPSA: | 136.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD26336
Formula: C6H11O2NS
Smiles:
CC(=O)SCC(C)C(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 161.23 | Num_heavy_atoms: | 10 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
