Glycoside
GD079208
Name:
3-hydroxy-4,9-dimethyl-10-oxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}deca-6,8-dienoic acidFormula:
C18H28O10Smiles:
C/C(=C\C=C\C[C@@H](C)[C@@H](O)CC(=O)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC(=CC=CCC(C)C(O)CC(=O)O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 404.41 | Num_heavy_atoms: | 28 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD19057
Formula: C12H18O5
Smiles:
CC(=CC=CCC(C)C(O)CC(=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
