Glycoside
GD116739
Name:
methyl 5-ethyl-6-(2-methoxy-2-oxoethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylateFormula:
C19H30O10Smiles:
CCC1C(OC2OC(CO)C(O)C(O)C2O)CC=C(C(=O)OC)C1CC(=O)OCAglycone:
CCC1C(O)CC=C(C(=O)OC)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.44 | Num_heavy_atoms: | 29 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46419
Formula: C13H20O5
Smiles:
CCC1C(O)CC=C(C(=O)OC)C1CC(=O)OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.3 | Num_heavy_atoms: | 18 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
