Glycoside
GD068240
Name:
NoneFormula:
C12H12O6N3BrSmiles:
O[C@H]1[C@@H](O)[C@@H](c2nc(-c3cncc(Br)c3)no2)O[C@@H](O)[C@@H]1OAglycone:
Brc1cncc(-c2ncon2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 374.15 | Num_heavy_atoms: | 22 |
| TPSA: | 141.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD32363
Formula: C7H4ON3Br
Smiles:
Brc1cncc(-c2ncon2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.03 | Num_heavy_atoms: | 12 |
| TPSA: | 51.81 | NumAromaticRings: | 2 |
