Glycoside
GD083035
Name:
2,7-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-4-enedioic acidFormula:
C18H30O10Smiles:
C[C@@H](C/C=C/C[C@@H](C)C(=O)O)[C@@H](CC(=O)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: | 0.78 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 406.43 | Num_heavy_atoms: | 28 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD37144
Formula: C12H20O5
Smiles:
CC(CC=CCC(C)C(O)CC(=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 244.29 | Num_heavy_atoms: | 17 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
