Glycoside
GD100394
Name:
NoneFormula:
C16H18O4N6ISmiles:
Nc1[nH+]cccc1Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Nc1[nH+]cccc1Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 485.26 | Num_heavy_atoms: | 27 |
| TPSA: | 152.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD42426
Formula: C11H9N6I
Smiles:
Nc1[nH+]cccc1Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.14 | Num_heavy_atoms: | 18 |
| TPSA: | 92.07 | NumAromaticRings: | 2 |
