Glycoside
GD078844
Name:
NoneFormula:
C13H16O4N5BrSmiles:
CC(C)=Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(C)=Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.21 | Num_heavy_atoms: | 23 |
| TPSA: | 125.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD36224
Formula: C8H7N5Br
Smiles:
CC(C)=Nc1ncnc2c1N=C(Br)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 253.08 | Num_heavy_atoms: | 14 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
