Glycoside
GD006122
Name:
NoneFormula:
C18H16O4N5BrSmiles:
N#Cc1c(-c2ccc(Br)cc2)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
N#CC1=C(c2ccc(Br)cc2)[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.26 | Num_heavy_atoms: | 28 |
| TPSA: | 150.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD05094
Formula: C13H7N5Br
Smiles:
N#CC1=C(c2ccc(Br)cc2)[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 313.14 | Num_heavy_atoms: | 19 |
| TPSA: | 89.69 | NumAromaticRings: | 2 |
