Glycoside
GD061806
Name:
NoneFormula:
C17H19O5N3Smiles:
Cc1c(C#N)c(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc2ccccc12Aglycone:
Cc1c(C#N)c(N)nc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 345.36 | Num_heavy_atoms: | 25 |
| TPSA: | 138.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD30227
Formula: C11H9N3
Smiles:
Cc1c(C#N)c(N)nc2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 183.21 | Num_heavy_atoms: | 14 |
| TPSA: | 62.7 | NumAromaticRings: | 2 |
