Glycoside
GD091547
Name:
NoneFormula:
C16H15O6N4BrSmiles:
O=C(c1nc(-c2cccc(-n3cc(Br)cn3)c2)no1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Brc1cnn(-c2cccc(-c3ncon3)c2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.22 | Num_heavy_atoms: | 27 |
| TPSA: | 154.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD39953
Formula: C11H7ON4Br
Smiles:
Brc1cnn(-c2cccc(-c3ncon3)c2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.11 | Num_heavy_atoms: | 17 |
| TPSA: | 56.74 | NumAromaticRings: | 3 |
