Glycoside
GD136162
Name:
2-((3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-yl)methoxy)benzoic acidFormula:
C13H16O8Smiles:
O=C(O)c1ccccc1OCC1OC(O)C(O)C(O)C1OAglycone:
COc1ccccc1C(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.26 | Num_heavy_atoms: | 21 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD19342
Formula: C8H8O3
Smiles:
COc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
