Glycoside
GD031119
Name:
NoneFormula:
C13H14O4N4Smiles:
N#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2nccc(N)c12Aglycone:
N#CC1=C[N]c2nccc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.28 | Num_heavy_atoms: | 21 |
| TPSA: | 137.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD20072
Formula: C8H5N4
Smiles:
N#CC1=C[N]c2nccc(N)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 157.16 | Num_heavy_atoms: | 12 |
| TPSA: | 76.8 | NumAromaticRings: | 1 |
