Glycoside
GD103420
Name:
NoneFormula:
C17H19O4N5ISmiles:
Cc1cc(Nc2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc[nH+]1Aglycone:
Cc1cc(Nc2ncnc3c2C(I)=C[N]3)cc[nH+]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 484.27 | Num_heavy_atoms: | 27 |
| TPSA: | 126.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD43778
Formula: C12H10N5I
Smiles:
Cc1cc(Nc2ncnc3c2C(I)=C[N]3)cc[nH+]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 351.15 | Num_heavy_atoms: | 18 |
| TPSA: | 66.05 | NumAromaticRings: | 2 |
