Glycoside
GD097009
Name:
NoneFormula:
C13H16O6N5SBrSmiles:
O=S(=O)(Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CC1Aglycone:
O=S(=O)(Nc1ncnc2c1N=C(Br)[N]2)C1CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.27 | Num_heavy_atoms: | 26 |
| TPSA: | 159.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD41234
Formula: C8H7O2N5SBr
Smiles:
O=S(=O)(Nc1ncnc2c1N=C(Br)[N]2)C1CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.15 | Num_heavy_atoms: | 17 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
