Glycoside
GD120847
Name:
2,3,4,5,6-pentahydroxyhexyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C16H22O9Smiles:
COc1cc(C=CC(=O)OCC(O)C(O)C(O)C(O)CO)ccc1OAglycone:
COc1cc(C=CC=O)ccc1OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 358.34 | Num_heavy_atoms: | 25 |
| TPSA: | 156.91 | 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 |
