Glycoside
GD098049
Name:
NoneFormula:
C16H17O5N6BrSmiles:
Cn1cc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1=OAglycone:
Cn1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 453.25 | Num_heavy_atoms: | 28 |
| TPSA: | 147.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD41715
Formula: C11H8ON6Br
Smiles:
Cn1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.13 | Num_heavy_atoms: | 19 |
| TPSA: | 86.27 | NumAromaticRings: | 2 |
