Glycoside
GD090629
Name:
NoneFormula:
C16H18O8NBrSmiles:
COc1cc2oc(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2cc1BrAglycone:
COc1cc2oc(C(N)=O)cc2cc1BrSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.22 | Num_heavy_atoms: | 26 |
| TPSA: | 141.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD39432
Formula: C10H8O3NBr
Smiles:
COc1cc2oc(C(N)=O)cc2cc1Br| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.08 | Num_heavy_atoms: | 15 |
| TPSA: | 65.46 | NumAromaticRings: | 2 |
