Glycoside
GD035980
Name:
NoneFormula:
C21H20O9NClSmiles:
O=C(C=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)C=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.83 | Num_heavy_atoms: | 31 |
| TPSA: | 163.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD22739
Formula: C15H10O4NCl
Smiles:
CC(=O)C=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.69 | Num_heavy_atoms: | 20 |
| TPSA: | 73.35 | NumAromaticRings: | 2 |
