TPCN04696

Name Barringtogenol C
Molecular Formula C30H50O5
Molecular Weight 490.73
CAS Registry Number 13844-01-4
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Husks 0.000100% J Asian Nat Prod Res 9(3-5): 387-392. 10.1080/10286020600782017
Apiaceae Hydrocotyle nepalensis Whole plants 0.000080% Fitoterapia 110: 66-71. 10.1016/j.fitote.2016.02.003
Properties
HBA 5 HBD 5
HeavyAtoms 35 AlogP 4.05
TPSA 101.15 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5