Glycoside
GD067101
Name:
NoneFormula:
C12H20O8N3ClSmiles:
O=[N+]([O-])C1CCN(O)C(Cl)C1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC1C(Cl)N(O)CCC1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 357.75 | Num_heavy_atoms: | 23 |
| TPSA: | 168.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD32068
Formula: C6H10O3N3Cl
Smiles:
NC1C(Cl)N(O)CCC1[N+](=O)[O-]| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.61 | Num_heavy_atoms: | 12 |
| TPSA: | 92.63 | NumAromaticRings: | 0 |
