Glycoside
GD139009
Name:
2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]benzoic acidFormula:
C20H22O9Smiles:
O=C(O)c1c(O)cc(OC2OCC(O)C(O)C2O)cc1CCc1ccc(O)cc1Aglycone:
O=C(O)c1c(O)cc(O)cc1CCc1ccc(O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD56070
Formula: C15H14O5
Smiles:
O=C(O)c1c(O)cc(O)cc1CCc1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
