Glycoside
GD120371
Name:
2,3,4,5-tetrahydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}hexanalFormula:
C22H24O10Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OCC(O)C(O)C(O)C(O)C=O)cc3O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(O)cccc3O2)cc1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD48352
Formula: C16H14O4
Smiles:
COc1ccc(C2CC(=O)c3c(O)cccc3O2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 55.76 | NumAromaticRings: | 2 |
