Glycoside
GD003710
Name:
NoneFormula:
C10H12O5N5BrSmiles:
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.14 | Num_heavy_atoms: | 21 |
| TPSA: | 159.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD02692
Formula: C5H3ON5Br
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(Br)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 229.02 | Num_heavy_atoms: | 12 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
