Glycoside
GD005152
Name:
NoneFormula:
C13H12O8N3FSmiles:
C#CCOC(=O)Nc1nc(=O)n(C2O[C@H](C(=O)O)[C@H](O)[C@H]2O)cc1FAglycone:
C#CCOC(=O)Nc1nc(=O)[nH]cc1FSugarmoiety:
O=C(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 357.25 | Num_heavy_atoms: | 25 |
| TPSA: | 160.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD04403
Formula: C8H6O3N3F
Smiles:
C#CCOC(=O)Nc1nc(=O)[nH]cc1F| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.15 | Num_heavy_atoms: | 15 |
| TPSA: | 84.08 | NumAromaticRings: | 1 |
