Glycoside
GD133616
Name:
2-[2-(pent-2-en-1-yl)-3-[(2,3,4,5,6-pentahydroxyhexyl)oxy]cyclopentyl]acetic acidFormula:
C18H32O8Smiles:
CCC=CCC1C(CC(=O)O)CCC1OCC(O)C(O)C(O)C(O)COAglycone:
CCC=CCC1CCCC1CC(=O)OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 376.45 | Num_heavy_atoms: | 26 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54072
Formula: C12H20O2
Smiles:
CCC=CCC1CCCC1CC(=O)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 196.29 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
