Glycoside
GD101302
Name:
NoneFormula:
C16H19O4N6ISmiles:
CCn1cc(Nc2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1Aglycone:
CCn1cc(Nc2ncnc3c2C(I)=C[N]3)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.27 | Num_heavy_atoms: | 27 |
| TPSA: | 130.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD42864
Formula: C11H10N6I
Smiles:
CCn1cc(Nc2ncnc3c2C(I)=C[N]3)cn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 353.15 | Num_heavy_atoms: | 18 |
| TPSA: | 69.73 | NumAromaticRings: | 2 |
