Glycoside
GD106735
Name:
NoneFormula:
C17H17O7N8BrSmiles:
Nc1nc2c(nc(N/N=C/c3ccc(Br)c([N+](=O)[O-])c3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(NN=Cc1ccc(Br)c([N+](=O)[O-])c1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 525.28 | Num_heavy_atoms: | 33 |
| TPSA: | 227.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD44206
Formula: C12H8O3N8Br
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(NN=Cc1ccc(Br)c([N+](=O)[O-])c1)[N]2| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.15 | Num_heavy_atoms: | 24 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
