TPCN04579

Name Heracleifolinoside D
Molecular Formula C41H66O15
Molecular Weight 798.96
CAS Registry Number 1473423-56-1
SMILES CC1CC(C(OC2OC(CO)C(O)C(O)C2O)C(C)(C)O)OC2(O)C1C1(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CC=C4C1(C)C2O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga heracleifolia Subterraneous stems 0.000229% Planta Med 79(3-4): 301-307. 10.1055/s-0032-1328174
Properties
HBA 15 HBD 10
HeavyAtoms 56 AlogP -0.18
TPSA 248.45 RotatableBonds 7
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8