Glycoside
GD075601
Name:
NoneFormula:
C15H21O9NSSmiles:
COC(=O)c1ccc(S(C)(=O)=O)c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1Aglycone:
COC(=O)c1ccc(S(C)(=O)=O)c(N)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.4 | Num_heavy_atoms: | 26 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD35029
Formula: C9H11O4NS
Smiles:
COC(=O)c1ccc(S(C)(=O)=O)c(N)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.26 | Num_heavy_atoms: | 15 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
