Glycoside
GD037020
Name:
NoneFormula:
C13H15O4N5Smiles:
CO[C@@H]1[C@H](O)[C@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12Aglycone:
Nc1ncnn2cccc12Sugarmoiety:
COC1C(O)C(CO)OC1(O)C#NOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.29 | Num_heavy_atoms: | 22 |
| TPSA: | 138.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD05072
Formula: C6H6N4
Smiles:
Nc1ncnn2cccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
