Glycoside
GD002942
Name:
NoneFormula:
C18H20O4N7ISmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Nc1ccc(CNc2ncnc3c2N=C[N]3)cc1ISugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 525.31 | Num_heavy_atoms: | 30 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD02740
Formula: C12H10N6I
Smiles:
Nc1ccc(CNc2ncnc3c2N=C[N]3)cc1I| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.16 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
