Glycoside
GD098267
Name:
NoneFormula:
C17H17O5N6BrSmiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccc(Br)cc4)nn3)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
Brc1ccc(C2=C[N]N=N2)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 465.26 | Num_heavy_atoms: | 29 |
| TPSA: | 161.54 | 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 |
AD05304
Formula: C8H5N3Br
Smiles:
Brc1ccc(C2=C[N]N=N2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 223.05 | Num_heavy_atoms: | 12 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
