C=CCO[C@H]1[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)O[C@@H]2COC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
名称: 2
SMILES: C=CCO[C@H]1[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)O[C@@H]2COC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Molecular Processing

Molecular formula
C29H40O18
Molecular weight
676.62
Exact mass
676.2215
XLogP
-0.19
TPSA
221.02
H-bond donors
0
H-bond acceptors
18
Rotatable bonds
14
Heavy atoms
47
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
1
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.69
Molar refractivity
149.38

Supplementary Information

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