Glycoside
GD140542
Name:
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octanoic acidFormula:
C14H26O8Smiles:
CCCCCC(CC(=O)O)OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCC(O)CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 322.35 | Num_heavy_atoms: | 22 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45074
Formula: C8H16O3
Smiles:
CCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 160.21 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
