Glycoside
GD074152
Name:
NoneFormula:
C13H19O9NS2Smiles:
CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1Aglycone:
CS(=O)(=O)c1cccc(S(N)(=O)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.43 | Num_heavy_atoms: | 25 |
| TPSA: | 170.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD34273
Formula: C7H9O4NS2
Smiles:
CS(=O)(=O)c1cccc(S(N)(=O)=O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 235.29 | Num_heavy_atoms: | 14 |
| TPSA: | 94.3 | NumAromaticRings: | 1 |
