Glycoside
GD095503
Name:
NoneFormula:
C16H19O9NS3Smiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(S(=O)(=O)c2ccccc2)cs1Aglycone:
NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.53 | Num_heavy_atoms: | 29 |
| TPSA: | 170.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD40746
Formula: C10H9O4NS3
Smiles:
NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.39 | Num_heavy_atoms: | 18 |
| TPSA: | 94.3 | NumAromaticRings: | 2 |
