Glycoside
GD023648
Name:
6-hydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C24H28O12Smiles:
C[C@@]12O[C@H]1[C@H](OC(=O)C=Cc1ccc(O)cc1)[C@]1(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC12OC1C(OC(=O)C=Cc1ccc(O)cc1)C1(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD15884
Formula: C18H18O7
Smiles:
CC12OC1C(OC(=O)C=Cc1ccc(O)cc1)C1(O)C=COC(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
