Glycoside
GD148408
Name:
(2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-6-yl)methyl 3-(4-hydroxyphenyl)propanoateFormula:
C25H28O12Smiles:
O=C(CCc1ccc(O)cc1)OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C32Aglycone:
O=C(CCc1ccc(O)cc1)OCC1=CC2OC(=O)C3=COC(O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD59389
Formula: C19H18O7
Smiles:
O=C(CCc1ccc(O)cc1)OCC1=CC2OC(=O)C3=COC(O)C1C32| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
