Glycoside
GD016578
Name:
NoneFormula:
C12H12O4N4Smiles:
C[C@@H]1OC(n2cc(C#N)c3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
N#CC1=C[N]c2ncnc(O)c21Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.25 | Num_heavy_atoms: | 20 |
| TPSA: | 124.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD01207
Formula: C7H3ON4
Smiles:
N#CC1=C[N]c2ncnc(O)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.13 | Num_heavy_atoms: | 12 |
| TPSA: | 83.9 | NumAromaticRings: | 1 |
