Glycoside
GD090669
Name:
NoneFormula:
C16H16O8NBrSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1coc2ccc(Br)cc2c1=OAglycone:
NC(=O)c1coc2ccc(Br)cc2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.21 | Num_heavy_atoms: | 26 |
| TPSA: | 149.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD39459
Formula: C10H6O3NBr
Smiles:
NC(=O)c1coc2ccc(Br)cc2c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.07 | Num_heavy_atoms: | 15 |
| TPSA: | 73.3 | NumAromaticRings: | 2 |
