Glycoside
GD069940
Name:
NoneFormula:
C16H20O6N2SSmiles:
C[C@H](C#N)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C#N)C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 368.41 | Num_heavy_atoms: | 25 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD33130
Formula: C10H10ON2S
Smiles:
CC(C#N)C(=O)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.27 | Num_heavy_atoms: | 14 |
| TPSA: | 52.89 | NumAromaticRings: | 1 |
