Glycoside
GD075622
Name:
NoneFormula:
C12H15O5N4BrSmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2nc3cc(Br)ccn3n2)[C@@H](O)[C@@H]1OAglycone:
Nc1nc2cc(Br)ccn2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 375.18 | Num_heavy_atoms: | 22 |
| TPSA: | 132.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD35035
Formula: C6H5N4Br
Smiles:
Nc1nc2cc(Br)ccn2n1| 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 |
