Glycoside
GD084615
Name:
NoneFormula:
C15H18O7NBrSmiles:
CC(=O)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(Br)c1Aglycone:
CC(=O)c1ccc(C(N)=O)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.21 | Num_heavy_atoms: | 24 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD37814
Formula: C9H8O2NBr
Smiles:
CC(=O)c1ccc(C(N)=O)c(Br)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.07 | Num_heavy_atoms: | 13 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
