Glycoside
GD045672
Name:
NoneFormula:
C12H14O4N2Smiles:
OC[C@@H]1O[C@H](n2cnc3ccccc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2ccccc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.25 | Num_heavy_atoms: | 18 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD16933
Formula: C7H5N2
Smiles:
C1=Nc2ccccc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.13 | Num_heavy_atoms: | 9 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
