Glycoside
GD100879
Name:
NoneFormula:
C14H14O6N5S2BrSmiles:
O=S(=O)(Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccsc1Aglycone:
O=S(=O)(Nc1ncnc2c1N=C(Br)[N]2)c1ccsc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.33 | Num_heavy_atoms: | 28 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42622
Formula: C9H5O2N5S2Br
Smiles:
O=S(=O)(Nc1ncnc2c1N=C(Br)[N]2)c1ccsc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.21 | Num_heavy_atoms: | 19 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
