Glycoside
GD068006
Name:
NoneFormula:
C17H18O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCc5cnccc54)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCc3cnccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 370.37 | Num_heavy_atoms: | 27 |
| TPSA: | 129.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD32256
Formula: C12H9N6
Smiles:
C1=Nc2c(ncnc2N2CCc3cnccc32)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 237.25 | Num_heavy_atoms: | 18 |
| TPSA: | 68.37 | NumAromaticRings: | 2 |
