Glycoside
GD137593
Name:
2-[(3,4,5,6-tetrahydroxy-2-oxohexyl)amino]benzoic acidFormula:
C13H17O7NSmiles:
O=C(O)c1ccccc1NCC(=O)C(O)C(O)C(O)COAglycone:
CNc1ccccc1C(=O)OSugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 299.28 | Num_heavy_atoms: | 21 |
| TPSA: | 147.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD00255
Formula: C8H9O2N
Smiles:
CNc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
