Glycoside
GD152300
Name:
6,7,8-tris(acetyloxy)-5-hydroxydodec-2-enoic acidFormula:
C18H28O9Smiles:
CCCCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)CC=CC(=O)OAglycone:
CC=CC(=O)OSugarmoiety:
CCCCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 388.41 | Num_heavy_atoms: | 27 |
| TPSA: | 136.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD04131
Formula: C4H6O2
Smiles:
CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.09 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
