Glycoside
GD101511
Name:
NoneFormula:
C17H23O5N6BrSmiles:
O=C(Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC1CCCCC1Aglycone:
O=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 471.31 | Num_heavy_atoms: | 29 |
| TPSA: | 154.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD42970
Formula: C12H14ON6Br
Smiles:
O=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.19 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
