Glycoside
GD019019
Name:
XYLOCYDINEFormula:
C12H14O5N5BrSmiles:
NC(=O)c1c(Br)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
NC(=O)C1=C(Br)[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.18 | Num_heavy_atoms: | 23 |
| TPSA: | 169.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD13327
Formula: C7H5ON5Br
Smiles:
NC(=O)C1=C(Br)[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 255.06 | Num_heavy_atoms: | 14 |
| TPSA: | 108.99 | NumAromaticRings: | 1 |
