Glycoside
GD035475
Name:
NoneFormula:
C17H17O6N6ISmiles:
O=[N+]([O-])c1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
O=[N+]([O-])c1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.26 | Num_heavy_atoms: | 30 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD22439
Formula: C12H8O2N6I
Smiles:
O=[N+]([O-])c1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.14 | Num_heavy_atoms: | 21 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
