Glycoside
GD085127
Name:
NoneFormula:
C15H20O7N2S2Smiles:
C[C@H](C#N)S(=O)(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CC(C#N)S(=O)(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.47 | Num_heavy_atoms: | 26 |
| TPSA: | 160.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD38084
Formula: C9H10O2N2S2
Smiles:
CC(C#N)S(=O)(=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.33 | Num_heavy_atoms: | 15 |
| TPSA: | 69.96 | NumAromaticRings: | 1 |
