Glycoside
GD034646
Name:
NoneFormula:
C22H24O5N5BrSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cc(Br)ccc3OCc3ccccc3)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1cc(Br)ccc1OCc1ccccc1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.37 | Num_heavy_atoms: | 33 |
| TPSA: | 144.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
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 |
