Glycoside
GD079252
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylateFormula:
C20H24O10Smiles:
O=C1CCC=C[C@]1(O)C(=O)OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.4 | Num_heavy_atoms: | 30 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD07841
Formula: C14H14O5
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
