TPCN02222
![[object Object]](../../static/browser_molecular_png/TPCN02222.png)
| Name | Rebaudioside S |
| Molecular Formula | C44H70O22 |
| Molecular Weight | 951.02 |
| CAS Registry Number | 1931085-11-8 |
| SMILES | C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Stevia rebaudiana | Leaves | 0.006467% | J Nat Prod 79, 2148 (2016). | 10.1021/acs.jnatprod.6b00048 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 66 | AlogP | -4.09 |
| TPSA | 353.90 | RotatableBonds | 11 |
| FractionCSP3 | 0.93 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |