Glycoside
GD126796
Name:
3-hydroxy-4,9-dimethyl-10-oxo-10-[(2,3,4,5,6-pentahydroxyhexyl)oxy]deca-6,8-dienoic acidFormula:
C18H30O10Smiles:
CC(=CC=CCC(C)C(O)CC(=O)O)C(=O)OCC(O)C(O)C(O)C(O)COAglycone:
CC(C=O)=CC=CCC(C)C(O)CC(=O)OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 13 |
| MolWt: | 406.43 | Num_heavy_atoms: | 28 |
| TPSA: | 184.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD51319
Formula: C12H18O4
Smiles:
CC(C=O)=CC=CCC(C)C(O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 226.27 | Num_heavy_atoms: | 16 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
