Glycoside
GD013414
Name:
NoneFormula:
C13H16O6NBrSmiles:
OCC1O[C@H](ON=Cc2ccc(Br)cc2)C(O)[C@H](O)C1OAglycone:
ON=Cc1ccc(Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.18 | Num_heavy_atoms: | 21 |
| TPSA: | 111.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD10012
Formula: C7H6ONBr
Smiles:
ON=Cc1ccc(Br)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.03 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
