Glycoside
GD034685
Name:
(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl acetateFormula:
C17H24O11Smiles:
CC(=O)OC[C@@]12O[C@H]1[C@H](O)[C@@H]1C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC(=O)OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 167.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD22018
Formula: C11H14O6
Smiles:
CC(=O)OCC12OC1C(O)C1C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
