Glycoside
GD101168
Name:
NoneFormula:
C17H18O5N5ISmiles:
COc1ccc(Nc2nc(I)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(Nc2nc(I)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.27 | Num_heavy_atoms: | 28 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD42761
Formula: C12H9ON5I
Smiles:
COc1ccc(Nc2nc(I)nc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.14 | Num_heavy_atoms: | 19 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
