Glycoside
GD037372
Name:
NoneFormula:
C12H12O4N5BrSmiles:
N#C[C@@]1(c2cc(Br)c3c(N)ncnn23)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnn2ccc(Br)c12Sugarmoiety:
N#CC1(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.16 | Num_heavy_atoms: | 22 |
| TPSA: | 149.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD22691
Formula: C6H5N4Br
Smiles:
Nc1ncnn2ccc(Br)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.04 | Num_heavy_atoms: | 11 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
