Glycoside
GD123097
Name:
6-[(2-ethylhexanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C14H24O8Smiles:
CCCCC(CC)C(=O)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CCCCC(CC)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 320.34 | Num_heavy_atoms: | 22 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD49651
Formula: C8H16O2
Smiles:
CCCCC(CC)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
