Glycoside
GD022562
Name:
NoneFormula:
C12H15O3N4BrSmiles:
CC[C@@H]1OC(n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(Br)=C[N]2Sugarmoiety:
CCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 343.18 | Num_heavy_atoms: | 20 |
| TPSA: | 106.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD04987
Formula: C6H4N4Br
Smiles:
Nc1ncnc2c1C(Br)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.03 | Num_heavy_atoms: | 11 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
