Glycoside
GD100266
Name:
NoneFormula:
C17H22O4N5ISmiles:
CN1CCC/C(=N/c2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1Aglycone:
CN1CCCC(=Nc2ncnc3c2C(I)=C[N]3)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 487.3 | Num_heavy_atoms: | 27 |
| TPSA: | 116.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD42365
Formula: C12H13N5I
Smiles:
CN1CCCC(=Nc2ncnc3c2C(I)=C[N]3)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.18 | Num_heavy_atoms: | 18 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
