TPCN05037

Name Chionaeoside C
Molecular Formula C41H64O14
Molecular Weight 780.95
CAS Registry Number 958296-39-4
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)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 0.001100% J Nat Prod 70, 1830-1833 (2007). 10.1021/np0704607
Properties
HBA 14 HBD 8
HeavyAtoms 55 AlogP 2.02
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7