Glycoside
GD005883
Name:
NoneFormula:
C18H18O6N5ISmiles:
O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2c(n1)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 527.28 | Num_heavy_atoms: | 30 |
| TPSA: | 155.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD04931
Formula: C13H9O2N5I
Smiles:
O=[N+]([O-])c1cc(NCc2cccc(I)c2)c2c(n1)[N]C=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.15 | Num_heavy_atoms: | 21 |
| TPSA: | 94.52 | NumAromaticRings: | 2 |
