Glycoside
GD022656
Name:
NoneFormula:
C11H14O5N5BrSmiles:
Cn1c(=O)[nH]c2c(nc(Br)n2C2O[C@H](CO)[C@H](O)[C@H]2O)c1=NAglycone:
Cn1c(=O)[nH]c2c(c1=N)N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.17 | Num_heavy_atoms: | 22 |
| TPSA: | 149.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD15333
Formula: C6H5ON5Br
Smiles:
Cn1c(=O)[nH]c2c(c1=N)N=C(Br)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 243.04 | Num_heavy_atoms: | 13 |
| TPSA: | 88.1 | NumAromaticRings: | 1 |
