Glycoside
GD092554
Name:
6-{[2-(3-benzoylphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C22H22O9Smiles:
C[C@@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(C(=O)c2ccccc2)c1Aglycone:
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 150.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD18038
Formula: C16H14O3
Smiles:
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.28 | Num_heavy_atoms: | 19 |
| TPSA: | 54.37 | NumAromaticRings: | 2 |
