Glycoside
GD081668
Name:
NoneFormula:
C15H18O8NBrSmiles:
COC(=O)c1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(Br)c1Aglycone:
COC(=O)c1ccc(CN)c(Br)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.21 | Num_heavy_atoms: | 25 |
| TPSA: | 153.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD36734
Formula: C9H10O2NBr
Smiles:
COC(=O)c1ccc(CN)c(Br)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.09 | Num_heavy_atoms: | 13 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
