Glycoside
GD011205
Name:
NoneFormula:
C17H16O4N4SSmiles:
Nc1ncnn2c([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc(C#Cc3cccs3)c12Aglycone:
Nc1ncnn2ccc(C#Cc3cccs3)c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 372.41 | Num_heavy_atoms: | 26 |
| TPSA: | 126.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD08585
Formula: C12H8N4S
Smiles:
Nc1ncnn2ccc(C#Cc3cccs3)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 240.29 | Num_heavy_atoms: | 17 |
| TPSA: | 56.21 | NumAromaticRings: | 3 |
