Glycoside
GD001163
Name:
NoneFormula:
C14H17O4N5Smiles:
CNc1ncnc2c1c(C#N)cn2C1O[C@H](CO)[C@H](O)[C@]1(C)OAglycone:
CNc1ncnc2c1C(C#N)=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.32 | Num_heavy_atoms: | 23 |
| TPSA: | 136.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01209
Formula: C8H6N5
Smiles:
CNc1ncnc2c1C(C#N)=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.17 | Num_heavy_atoms: | 13 |
| TPSA: | 75.7 | NumAromaticRings: | 1 |
