Glycoside
GD103861
Name:
NoneFormula:
C20H22O6N2S2Smiles:
N#C[C@H](Cc1cccs1)C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
N#CC(Cc1cccs1)C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.54 | Num_heavy_atoms: | 30 |
| TPSA: | 143.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD43909
Formula: C14H12ON2S2
Smiles:
N#CC(Cc1cccs1)C(=O)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.4 | Num_heavy_atoms: | 19 |
| TPSA: | 52.89 | NumAromaticRings: | 2 |
