Glycoside
GD001383
Name:
NoneFormula:
C12H15O4N4ISmiles:
CNc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.18 | Num_heavy_atoms: | 21 |
| TPSA: | 112.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD01398
Formula: C7H6N4I
Smiles:
CNc1ncnc2c1C(I)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.06 | Num_heavy_atoms: | 12 |
| TPSA: | 51.91 | NumAromaticRings: | 1 |
