Glycoside
GD058042
Name:
NoneFormula:
C12H17O9N3Smiles:
Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
Cc1ncc([N+](=O)[O-])n1CCOSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 347.28 | Num_heavy_atoms: | 24 |
| TPSA: | 177.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD29101
Formula: C6H9O3N3
Smiles:
Cc1ncc([N+](=O)[O-])n1CCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 171.16 | Num_heavy_atoms: | 12 |
| TPSA: | 81.19 | NumAromaticRings: | 1 |
