Glycoside
GD036618
Name:
NoneFormula:
C16H19O12NSmiles:
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC(=O)O)[C@H]2O)c([N+](=O)[O-])c1Aglycone:
COC(=O)c1ccc(O)c([N+](=O)[O-])c1.O=C(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.32 | Num_heavy_atoms: | 29 |
| TPSA: | 195.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD06805
Formula: C8H7O5N
Smiles:
COC(=O)c1ccc(O)c([N+](=O)[O-])c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 197.15 | Num_heavy_atoms: | 14 |
| TPSA: | 89.67 | NumAromaticRings: | 1 |
