Glycoside
GD101054
Name:
NoneFormula:
C17H17O5N6BrSmiles:
O=C(Nc1cccc(Br)c1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
O=C(Nc1cccc(Br)c1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 465.26 | Num_heavy_atoms: | 29 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD08159
Formula: C12H8ON6Br
Smiles:
O=C(Nc1cccc(Br)c1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.14 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
