Glycoside
GD058556
Name:
NoneFormula:
C12H14O8N4Smiles:
COC(=O)n1ncc(C#N)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
COC(=O)n1ncc(C#N)c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 342.26 | Num_heavy_atoms: | 24 |
| TPSA: | 195.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD29258
Formula: C6H6O2N4
Smiles:
COC(=O)n1ncc(C#N)c1N| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.14 | Num_heavy_atoms: | 12 |
| TPSA: | 93.93 | NumAromaticRings: | 1 |
