TPCN04421

Name Raddeanoside 22
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 1215281-16-5
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone raddeana Subterraneous stems 0.000725% Nat Prod Res: 1-8. 10.1080/14786419.2019.1634708
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.35
TPSA 274.75 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8