Glycoside
GD100653
Name:
NoneFormula:
C16H16O6N5SBrSmiles:
O=S(=O)(Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cncc(Br)c1Aglycone:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cncc(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.3 | Num_heavy_atoms: | 29 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42491
Formula: C11H7O2N5SBr
Smiles:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cncc(Br)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 353.18 | Num_heavy_atoms: | 20 |
| TPSA: | 98.94 | NumAromaticRings: | 2 |
