Glycoside
GD061345
Name:
NoneFormula:
C16H20O6N2Smiles:
O=C(c1nnc(CCCc2ccccc2)o1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1ccc(CCCc2nnco2)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 136.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD20500
Formula: C11H12ON2
Smiles:
c1ccc(CCCc2nnco2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
