Glycoside
GD071117
Name:
NoneFormula:
C10H12O4N5ISmiles:
Nc1ncnc2c1nc(I)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(I)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 393.14 | Num_heavy_atoms: | 20 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD23954
Formula: C5H3N5I
Smiles:
Nc1ncnc2c1N=C(I)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
