Glycoside
GD126348
Name:
4,5-dimethyl 3-[2-(acetyloxy)ethylidene]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4,5-dicarboxylateFormula:
C19H26O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCOC(C)=O)C1C(=O)OCAglycone:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.4 | Num_heavy_atoms: | 32 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD51113
Formula: C13H16O8
Smiles:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1C(=O)OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.26 | Num_heavy_atoms: | 21 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
