Glycoside
GD028843
Name:
NoneFormula:
C26H26O21N4Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Aglycone:
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 730.5 | Num_heavy_atoms: | 51 |
| TPSA: | 374.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD18806
Formula: C8H6O6N2
Smiles:
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.14 | Num_heavy_atoms: | 16 |
| TPSA: | 112.58 | NumAromaticRings: | 1 |
