Glycoside
GD001414
Name:
NoneFormula:
C11H12O3N7ISmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 417.17 | Num_heavy_atoms: | 22 |
| TPSA: | 155.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD01423
Formula: C6H4N4I
Smiles:
Nc1ncnc2c1C(I)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 259.03 | Num_heavy_atoms: | 11 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
