Glycoside
GD025548
Name:
NoneFormula:
C13H16O7NBrSmiles:
OCC1O[C@H](ON=Cc2cc(Br)ccc2O)C(O)[C@H](O)C1OAglycone:
ON=Cc1cc(Br)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.18 | Num_heavy_atoms: | 22 |
| TPSA: | 131.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD16925
Formula: C7H6O2NBr
Smiles:
ON=Cc1cc(Br)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.03 | Num_heavy_atoms: | 11 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
