Glycoside
GD005076
Name:
NoneFormula:
C16H16O4N5ISmiles:
OC[C@@H]1OC(n2cnc3c(Nc4ccc(I)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Ic1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 469.24 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD04346
Formula: C11H7N5I
Smiles:
Ic1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.12 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
