Glycoside
GD103594
Name:
NoneFormula:
C19H22O11N2Smiles:
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1cccc([N+](=O)[O-])c1Aglycone:
Nc1cccc([N+](=O)[O-])c1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 454.39 | Num_heavy_atoms: | 32 |
| TPSA: | 177.44 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
