TPCN04653

Name Ardisicrenoside Q
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 1888485-13-9
SMILES COC1OCC23CCC1(C)CC2C1=CCC2C4(C)CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Myrsinaceae Ardisia crenata Roots 0.000143% Nat Prod Res 30(23): 2694-2703. 10.1080/14786419.2016.1146889
Properties
HBA 13 HBD 7
HeavyAtoms 55 AlogP 2.39
TPSA 196.99 RotatableBonds 6
FractionCSP3 0.95 Rings 9
AromaticRings 0 AliphaticRings 9