Glycoside
GD007009
Name:
NoneFormula:
C18H20O5N5ISmiles:
COc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
COc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 513.29 | Num_heavy_atoms: | 29 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD05736
Formula: C13H11ON5I
Smiles:
COc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.17 | Num_heavy_atoms: | 20 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
