Glycoside
GD083096
Name:
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C20H28O9Smiles:
C[C@@H](C[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)/C=C/c1ccc(O)cc1Aglycone:
CC(O)CC(C)OC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.44 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD37151
Formula: C14H18O4
Smiles:
CC(O)CC(C)OC(=O)C=Cc1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 250.29 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
