Glycoside
GD008711
Name:
NoneFormula:
C12H12O4N5BrSmiles:
N#Cc1c(Br)n(C2OC(CO)C(O)C2O)c2ncnc(N)c12Aglycone:
N#CC1=C(Br)[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.16 | Num_heavy_atoms: | 22 |
| TPSA: | 150.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD01982
Formula: C7H3N5Br
Smiles:
N#CC1=C(Br)[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.04 | Num_heavy_atoms: | 13 |
| TPSA: | 89.69 | NumAromaticRings: | 1 |
