Glycoside
GD006155
Name:
NoneFormula:
C25H29O14NSmiles:
O=C(c1ccc(O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1Aglycone:
O=C(c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 567.5 | Num_heavy_atoms: | 40 |
| TPSA: | 238.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD02841
Formula: C13H9O4N
Smiles:
O=C(c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 243.22 | Num_heavy_atoms: | 18 |
| TPSA: | 80.44 | NumAromaticRings: | 2 |
