Glycoside
GD091362
Name:
NoneFormula:
C13H15O6N5FBrSmiles:
O=C(Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OCCFAglycone:
O=C(Nc1ncnc2c1N=C(Br)[N]2)OCCFSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.19 | Num_heavy_atoms: | 26 |
| TPSA: | 151.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD39854
Formula: C8H6O2N5FBr
Smiles:
O=C(Nc1ncnc2c1N=C(Br)[N]2)OCCF| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 303.07 | Num_heavy_atoms: | 17 |
| TPSA: | 90.57 | NumAromaticRings: | 1 |
