Glycoside
GD045115
Name:
NoneFormula:
C13H19O5N3Smiles:
C#CCCCc1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
C#CCCCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.31 | Num_heavy_atoms: | 21 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD25200
Formula: C8H11N3
Smiles:
C#CCCCc1cn(C)nn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 149.2 | Num_heavy_atoms: | 11 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
