Glycoside
GD052257
Name:
NoneFormula:
C15H21O5N3Smiles:
Cc1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(C#N)c(C)c1CAglycone:
Cc1nc(N)c(C#N)c(C)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.35 | Num_heavy_atoms: | 23 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD27123
Formula: C9H11N3
Smiles:
Cc1nc(N)c(C#N)c(C)c1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.21 | Num_heavy_atoms: | 12 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
