Glycoside
GD047007
Name:
methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C14H18O8Smiles:
COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
COC(=O)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD05895
Formula: C8H8O3
Smiles:
COC(=O)c1ccccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
