Glycoside
GD058161
Name:
NoneFormula:
C13H19O8N3Smiles:
COc1cc(C)nc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]Aglycone:
COc1cc(C)nc(N)c1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.31 | Num_heavy_atoms: | 24 |
| TPSA: | 167.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD29119
Formula: C7H9O3N3
Smiles:
COc1cc(C)nc(N)c1[N+](=O)[O-]| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.17 | Num_heavy_atoms: | 13 |
| TPSA: | 91.28 | NumAromaticRings: | 1 |
