Glycoside
GD105167
Name:
NoneFormula:
C24H18O9N2Smiles:
O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Aglycone:
Nc1cccc([N+](=O)[O-])c1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.41 | Num_heavy_atoms: | 35 |
| TPSA: | 162.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD25353
Formula: C6H6O2N2
Smiles:
Nc1cccc([N+](=O)[O-])c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 69.16 | NumAromaticRings: | 1 |
