Glycoside
GD047422
Name:
NoneFormula:
C9H19O8NSSmiles:
COCCS(=O)(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
COCCS(N)(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 301.32 | Num_heavy_atoms: | 19 |
| TPSA: | 145.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD25501
Formula: C3H9O3NS
Smiles:
COCCS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.18 | Num_heavy_atoms: | 8 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
