Glycoside
GD058373
Name:
NoneFormula:
C14H18O6N2SSmiles:
N#C[C@@H](Cc1cccs1)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#CC(Cc1cccs1)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.37 | Num_heavy_atoms: | 23 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD29190
Formula: C8H8ON2S
Smiles:
N#CC(Cc1cccs1)C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.23 | Num_heavy_atoms: | 12 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
