Glycoside
GD102296
Name:
NoneFormula:
C17H16O6N5BrSmiles:
O=C(Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Oc1ccccc1Aglycone:
O=C(Nc1ncnc2c1N=C(Br)[N]2)Oc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.25 | Num_heavy_atoms: | 29 |
| TPSA: | 151.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD43297
Formula: C12H7O2N5Br
Smiles:
O=C(Nc1ncnc2c1N=C(Br)[N]2)Oc1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 333.13 | Num_heavy_atoms: | 20 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
