Glycoside
GD153622
Name:
Fertaric AcidFormula:
C14H14O9Smiles:
COc1cc(C=CC(=O)OC(C(=O)O)C(O)C(=O)O)ccc1OAglycone:
COc1cc(C=CC=O)ccc1OSugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 326.26 | Num_heavy_atoms: | 23 |
| TPSA: | 150.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
