Glycoside
GD058199
Name:
NoneFormula:
C12H17O8N3Smiles:
Cn1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])c1=OAglycone:
Cn1cc(N)cc([N+](=O)[O-])c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.28 | Num_heavy_atoms: | 23 |
| TPSA: | 167.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD29136
Formula: C6H7O3N3
Smiles:
Cn1cc(N)cc([N+](=O)[O-])c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.14 | Num_heavy_atoms: | 12 |
| TPSA: | 91.16 | NumAromaticRings: | 1 |
