Glycoside
GD067551
Name:
NoneFormula:
C12H14O5N3BrSmiles:
N#Cc1cc(Br)cc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
N#Cc1cc(Br)cc(N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.16 | Num_heavy_atoms: | 21 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD32190
Formula: C6H4N3Br
Smiles:
N#Cc1cc(Br)cc(N)n1| 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 |
