TPCN05018

Name O-p-Coumaryl-dryocrassol
Molecular Formula C39H58O3
Molecular Weight 574.89
CAS Registry Number 105798-80-9
SMILES CC(COC(=O)C=Cc1ccc(O)cc1)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Polypodiaceae Lygodium flexuosum Whole plants 0.001350% Planta Med, 329-330 (1986) 10.1055/s-2007-969169
Properties
HBA 3 HBD 1
HeavyAtoms 42 AlogP 10.08
TPSA 46.53 RotatableBonds 5
FractionCSP3 0.77 Rings 6
AromaticRings 1 AliphaticRings 5