Glycoside
GD026006
Name:
NoneFormula:
C14H18O4N2Smiles:
CCc1nc2ccccc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCC1=Nc2ccccc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.31 | Num_heavy_atoms: | 20 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD17177
Formula: C9H9N2
Smiles:
CCC1=Nc2ccccc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
