Glycoside
GD059335
Name:
NoneFormula:
C10H11O4N4BrSmiles:
OC[C@@H]1O[C@@H](n2cnc3c(Br)ncnc32)[C@@H](O)[C@@H]1OAglycone:
Brc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.13 | Num_heavy_atoms: | 19 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD29391
Formula: C5H2N4Br
Smiles:
Brc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 198.0 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
