$CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O$

SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

Molecular Processing

Molecular formula

C37H62O8

Molecular weight

634.9

Exact mass

634.4445

XLogP

7.19

TPSA

136.68

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.703

Molar refractivity

180.75

Supplementary Information

詳細情報を取得中…