TPCN03768

Name Clemargenoside H
Molecular Formula C52H84O20
Molecular Weight 1029.22
CAS Registry Number 1613384-10-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus mukorossi Fruits 0.000763% Nat Prod Res 28, 1058-1064 (2014). 10.1080/14786419.2014.905559
Properties
HBA 20 HBD 11
HeavyAtoms 72 AlogP 0.27
TPSA 313.44 RotatableBonds 9
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9