Glycoside
GD031991
Name:
NoneFormula:
C14H13O4N5Smiles:
C#C[C@@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cc(C#N)c2c(N)ncnc21Aglycone:
N#CC1=C[N]c2ncnc(N)c21Sugarmoiety:
C#CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.29 | Num_heavy_atoms: | 23 |
| TPSA: | 150.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD02688
Formula: C7H4N5
Smiles:
N#CC1=C[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 89.69 | NumAromaticRings: | 1 |
