Glycoside
GD093855
Name:
NoneFormula:
C12H17O6N6SBrSmiles:
CN(C)S(=O)(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CN(C)S(=O)(=O)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.28 | Num_heavy_atoms: | 26 |
| TPSA: | 162.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD40463
Formula: C7H8O2N6SBr
Smiles:
CN(C)S(=O)(=O)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.15 | Num_heavy_atoms: | 17 |
| TPSA: | 101.65 | NumAromaticRings: | 1 |
