Glycoside
GD004452
Name:
NoneFormula:
C12H15O4N4BrSmiles:
CNc1ncnc2c1c(Br)cn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1C(Br)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.18 | Num_heavy_atoms: | 21 |
| TPSA: | 112.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD03889
Formula: C7H6N4Br
Smiles:
CNc1ncnc2c1C(Br)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.06 | Num_heavy_atoms: | 12 |
| TPSA: | 51.91 | NumAromaticRings: | 1 |
