Glycoside
GD081681
Name:
NoneFormula:
C14H15O6N4BrSmiles:
O=C(Nc1ccc(-n2cnc(Br)n2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1ccc(-n2cnc(Br)n2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.2 | Num_heavy_atoms: | 25 |
| TPSA: | 157.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD36737
Formula: C8H7N4Br
Smiles:
Nc1ccc(-n2cnc(Br)n2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 239.08 | Num_heavy_atoms: | 13 |
| TPSA: | 56.73 | NumAromaticRings: | 2 |
