Glycoside
GD024716
Name:
NoneFormula:
C17H15O4N3Smiles:
N#Cc1ncn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1C#Cc1ccccc1Aglycone:
N#CC1=C(C#Cc2ccccc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 325.32 | Num_heavy_atoms: | 24 |
| TPSA: | 111.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD16471
Formula: C12H6N3
Smiles:
N#CC1=C(C#Cc2ccccc2)[N]C=N1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.2 | Num_heavy_atoms: | 15 |
| TPSA: | 50.25 | NumAromaticRings: | 1 |
