Glycoside
GD058749
Name:
NoneFormula:
C12H17O6N3SSmiles:
C#CC[S@@](=O)Cc1cn([C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
C#CCS(=O)CC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 331.35 | Num_heavy_atoms: | 22 |
| TPSA: | 137.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD29318
Formula: C6H6ON3S
Smiles:
C#CCS(=O)CC1=C[N]N=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.2 | Num_heavy_atoms: | 11 |
| TPSA: | 55.89 | NumAromaticRings: | 0 |
