Glycoside
GD050230
Name:
NoneFormula:
C13H20O6N3Smiles:
[NH3+]CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1cccnc1Aglycone:
[NH3+]CCNc1cccnc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 314.32 | Num_heavy_atoms: | 22 |
| TPSA: | 158.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD26556
Formula: C7H12N3
Smiles:
[NH3+]CCNc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 138.19 | Num_heavy_atoms: | 10 |
| TPSA: | 52.56 | NumAromaticRings: | 1 |
