Glycoside
GD074921
Name:
NoneFormula:
C16H21O8NSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(S(=O)(=O)C2CC2)cc1Aglycone:
NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.41 | Num_heavy_atoms: | 26 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD34658
Formula: C10H11O3NS
Smiles:
NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.27 | Num_heavy_atoms: | 15 |
| TPSA: | 77.23 | NumAromaticRings: | 1 |
