Glycoside
GD067580
Name:
NoneFormula:
C12H12O6N3BrSmiles:
N#Cc1cnc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(Br)c1Aglycone:
N#Cc1cnc(N)c(Br)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.15 | Num_heavy_atoms: | 22 |
| TPSA: | 163.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD32201
Formula: C6H4N3Br
Smiles:
N#Cc1cnc(N)c(Br)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 198.02 | Num_heavy_atoms: | 10 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
