Glycoside
GD086437
Name:
methyl 6-ethoxy-8-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C19H30O11Smiles:
CCO[C@@H]1C[C@@H]2C(C(=O)OC)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@H](C)O1Aglycone:
CCOC1CC2C(C(=O)OC)=COC(O)C2C(C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.44 | Num_heavy_atoms: | 30 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD08571
Formula: C13H20O6
Smiles:
CCOC1CC2C(C(=O)OC)=COC(O)C2C(C)O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
