Glycoside
GD103835
Name:
NoneFormula:
C18H16O4N5ISmiles:
C#Cc1cccc(Nc2nc(I)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Aglycone:
C#Cc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 493.26 | Num_heavy_atoms: | 28 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD43899
Formula: C13H7N5I
Smiles:
C#Cc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
