Glycoside
GD045119
Name:
NoneFormula:
C12H17O5N3Smiles:
C#CCCc1cn([C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
C#CCCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 283.28 | Num_heavy_atoms: | 20 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD25201
Formula: C6H6N3
Smiles:
C#CCCC1=C[N]N=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.14 | Num_heavy_atoms: | 9 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
