Glycoside
GD044724
Name:
NoneFormula:
C11H14O5N4Smiles:
CC(=O)Nc1c(C#N)ncn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(=O)NC1=C(C#N)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.26 | Num_heavy_atoms: | 20 |
| TPSA: | 140.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD25077
Formula: C6H5ON4
Smiles:
CC(=O)NC1=C(C#N)N=C[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 79.35 | NumAromaticRings: | 0 |
