TPCN04974

Name Chionaeoside D
Molecular Formula C35H54O9
Molecular Weight 618.81
CAS Registry Number 958296-40-7
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Paronychia chionaea Roots 0.002982% J Nat Prod 70, 1830-1833 (2007). 10.1021/np0704607
Properties
HBA 9 HBD 5
HeavyAtoms 44 AlogP 4.76
TPSA 153.75 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6