Glycoside
GD103441
Name:
NoneFormula:
C18H21O4N5ISmiles:
[NH3+]Cc1ccc(Nc2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
[NH3+]Cc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.3 | Num_heavy_atoms: | 28 |
| TPSA: | 140.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD43794
Formula: C13H12N5I
Smiles:
[NH3+]Cc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.18 | Num_heavy_atoms: | 19 |
| TPSA: | 79.55 | NumAromaticRings: | 2 |
