Glycoside
GD091363
Name:
NoneFormula:
C12H14O6N2Br2Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cnc(Br)cc1BrAglycone:
NC(=O)c1cnc(Br)cc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.06 | Num_heavy_atoms: | 22 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD39855
Formula: C6H4ON2Br2
Smiles:
NC(=O)c1cnc(Br)cc1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 279.92 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
