Glycoside
GD058612
Name:
NoneFormula:
C15H22O5N4Smiles:
CCc1nnc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(C#N)c1CCAglycone:
CCc1nnc(N)c(C#N)c1CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.36 | Num_heavy_atoms: | 24 |
| TPSA: | 151.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD29277
Formula: C9H12N4
Smiles:
CCc1nnc(N)c(C#N)c1CC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.22 | Num_heavy_atoms: | 13 |
| TPSA: | 75.59 | NumAromaticRings: | 1 |
