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| Geometrical parameters | Bond lengths (Å) | |
|---|---|---|
| Gauss software number | Chemical structure number | |
| C10–O11 | C10–O | 1.422 |
| C27–O28 | C6′–O | 1.413 |
| C20–O26 | C4′–O | 1.406 |
| C22–O25 | C2′–O | 1.405 |
| C21–O29 | C3′–O | 1.405 |
Note: according to the Gaussian software and the chemical structure of the carbon atom number is different, but the same row of carbon atoms is the same carbon atom in the geniposide structure.
