Glycoside
GD021002
Name:
NoneFormula:
C14H15O4N3Smiles:
C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(C)c12Aglycone:
C#CC1=C[N]c2ncnc(C)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 289.29 | Num_heavy_atoms: | 21 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD14415
Formula: C9H6N3
Smiles:
C#CC1=C[N]c2ncnc(C)c21| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 156.17 | Num_heavy_atoms: | 12 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
