Glycoside
GD068348
Name:
NoneFormula:
C12H12O6N3BrSmiles:
O=C(c1nc(-c2cncc(Br)c2)no1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Brc1cncc(-c2ncon2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.15 | Num_heavy_atoms: | 22 |
| TPSA: | 149.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD32363
Formula: C7H4ON3Br
Smiles:
Brc1cncc(-c2ncon2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.03 | Num_heavy_atoms: | 12 |
| TPSA: | 51.81 | NumAromaticRings: | 2 |
