Glycoside
GD101190
Name:
NoneFormula:
C14H14O5N5ISmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccoc4)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
Ic1nc2c(c(Nc3ccoc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 459.2 | Num_heavy_atoms: | 25 |
| TPSA: | 138.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD42777
Formula: C9H5ON5I
Smiles:
Ic1nc2c(c(Nc3ccoc3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 326.08 | Num_heavy_atoms: | 16 |
| TPSA: | 77.41 | NumAromaticRings: | 2 |
