Glycoside
GD029721
Name:
NoneFormula:
C11H11O4N3Smiles:
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
C#CC1=C(C#N)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 249.23 | Num_heavy_atoms: | 18 |
| TPSA: | 111.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD14145
Formula: C6H2N3
Smiles:
C#CC1=C(C#N)N=C[N]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.1 | Num_heavy_atoms: | 9 |
| TPSA: | 50.25 | NumAromaticRings: | 0 |
