Glycoside
GD074871
Name:
NoneFormula:
C13H17O7N2BrSmiles:
Cn1cc(Br)cc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1=OAglycone:
Cn1cc(Br)cc(C(N)=O)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 393.19 | Num_heavy_atoms: | 23 |
| TPSA: | 141.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD34631
Formula: C7H7O2N2Br
Smiles:
Cn1cc(Br)cc(C(N)=O)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.05 | Num_heavy_atoms: | 12 |
| TPSA: | 65.09 | NumAromaticRings: | 1 |
