Glycoside
GD007119
Name:
NoneFormula:
C17H21O4N5Smiles:
CC(C)=CCNc1ncnc2c1c(C#N)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)=CCNc1ncnc2c1C(C#N)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.39 | Num_heavy_atoms: | 26 |
| TPSA: | 136.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD05819
Formula: C12H12N5
Smiles:
CC(C)=CCNc1ncnc2c1C(C#N)=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.26 | Num_heavy_atoms: | 17 |
| TPSA: | 75.7 | NumAromaticRings: | 1 |
