Glycoside
GD028920
Name:
NoneFormula:
C18H25O12NSmiles:
C[C@H](O)[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H]([C@H](O)CO)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=[N+]([O-])c1ccc(O)cc1Sugarmoiety:
CC(O)C1OC(OC2C(O)OC(C(O)CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.39 | Num_heavy_atoms: | 31 |
| TPSA: | 201.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00091
Formula: C6H5O3N
Smiles:
O=[N+]([O-])c1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 63.37 | NumAromaticRings: | 1 |
