Glycoside
GD052025
Name:
NoneFormula:
C13H18O7N2Smiles:
COc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1Aglycone:
COc1ccc(N)c([N+](=O)[O-])c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 134.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD27089
Formula: C7H8O3N2
Smiles:
COc1ccc(N)c([N+](=O)[O-])c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 78.39 | NumAromaticRings: | 1 |
