Glycoside
GD035127
Name:
NoneFormula:
C16H18O4N4Smiles:
Nc1ncnn2c([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc(C#CC3CC3)c12Aglycone:
Nc1ncnn2ccc(C#CC3CC3)c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 126.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD22242
Formula: C11H10N4
Smiles:
Nc1ncnn2ccc(C#CC3CC3)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 198.23 | Num_heavy_atoms: | 15 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
