Glycoside
GD154504
Name:
3-[3-(3,4,5-trihydroxyoxolan-2-yl)propanoyl]benzoic acidFormula:
C14H16O7Smiles:
O=C(O)c1cccc(C(=O)CCC2OC(O)C(O)C2O)c1Aglycone:
CCC(=O)c1cccc(C(=O)O)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.27 | Num_heavy_atoms: | 21 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD24736
Formula: C10H10O3
Smiles:
CCC(=O)c1cccc(C(=O)O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
