Glycoside
GD006955
Name:
NoneFormula:
C13H15O4N5Smiles:
C[C@]1(O)C(n2cc(C#N)c3c(N)ncnc32)O[C@H](CO)[C@H]1OAglycone:
N#CC1=C[N]c2ncnc(N)c21Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.29 | Num_heavy_atoms: | 22 |
| 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 |
