Glycoside
GD158284
Name:
NoneFormula:
C16H18O7N2Smiles:
O=C(O)C1=CC=CN(C2OC(COC(=O)c3ccc[nH]3)C(O)C2O)C1Aglycone:
COC(=O)c1ccc[nH]1.O=C(O)C1=CC=CNC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 132.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD19997
Formula: C6H7O2N
Smiles:
COC(=O)c1ccc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.09 | NumAromaticRings: | 1 |
AD48505
Formula: C6H7O2N
Smiles:
O=C(O)C1=CC=CNC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
