Glycoside
GD058755
Name:
NoneFormula:
C16H17O5N3Smiles:
C#Cc1cccc(-c2cn([C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)c1Aglycone:
C#Cc1cccc(C2=C[N]N=N2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.33 | Num_heavy_atoms: | 24 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD29311
Formula: C10H6N3
Smiles:
C#Cc1cccc(C2=C[N]N=N2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.18 | Num_heavy_atoms: | 13 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
