Glycoside
GD005089
Name:
NoneFormula:
C20H23O11N3Smiles:
CCN(CC)C(=O)C(C#N)=Cc1cc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c(O)c([N+](=O)[O-])c1Aglycone:
CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.41 | Num_heavy_atoms: | 34 |
| TPSA: | 223.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD04356
Formula: C14H15O5N3
Smiles:
CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.29 | Num_heavy_atoms: | 22 |
| TPSA: | 127.7 | NumAromaticRings: | 1 |
