Glycoside
GD083690
Name:
NoneFormula:
C15H18O7NBrSmiles:
CCC(=O)c1cc(Br)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CCC(=O)c1cc(Br)ccc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 404.21 | Num_heavy_atoms: | 24 |
| TPSA: | 144.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD37312
Formula: C9H10ONBr
Smiles:
CCC(=O)c1cc(Br)ccc1N| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.09 | Num_heavy_atoms: | 12 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
