Glycoside
GD050627
Name:
NoneFormula:
C9H19O8NSSmiles:
COCCS(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
COCCS(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 301.32 | Num_heavy_atoms: | 19 |
| TPSA: | 153.39 | 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 |
