Glycoside
GD027885
Name:
NoneFormula:
C25H26O8N3BrSmiles:
COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.4 | Num_heavy_atoms: | 37 |
| TPSA: | 156.39 | NumAromaticRings: | 3 |
Unique Aglycone
AD18282
Formula: C19H15O3N3Br
Smiles:
COc1cc(C=CC(=O)c2ccc(Br)cc2)ccc1OCC1=C[N]N=N1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.25 | Num_heavy_atoms: | 26 |
| TPSA: | 74.35 | NumAromaticRings: | 2 |
