TPCN04448

Name Pinfaensin
Molecular Formula C36H56O11
Molecular Weight 664.83
CAS Registry Number 158848-20-5
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C=O)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.000600% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 11 HBD 7
HeavyAtoms 47 AlogP 1.61
TPSA 194.21 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6