TPCN02208

Name Rebaudioside R
Molecular Formula C43H68O22
Molecular Weight 937.00
CAS Registry Number 1931083-53-2
SMILES C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Stevia rebaudiana Leaves 0.007200% J Nat Prod 79, 2148 (2016). 10.1021/acs.jnatprod.6b00048
Properties
HBA 22 HBD 13
HeavyAtoms 65 AlogP -4.47
TPSA 353.90 RotatableBonds 11
FractionCSP3 0.93 Rings 8
AromaticRings 0 AliphaticRings 8