Glycoside
GD067975
Name:
4-(acetyloxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C17H20O9Smiles:
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
