Glycoside
GD026686
Name:
NoneFormula:
C23H25O5N4BrSmiles:
Nc1ccn([C@@H]2O[C@H](CNCc3cc(Br)ccc3OCc3ccccc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCc1cc(Br)ccc1OCc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 517.38 | Num_heavy_atoms: | 33 |
| TPSA: | 131.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD17580
Formula: C15H16ONBr
Smiles:
CNCc1cc(Br)ccc1OCc1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 306.2 | Num_heavy_atoms: | 18 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
