TPCN05932

Name 3-O-??-D-glucopyranosyl-(1??2)-??-D-glucuronopyranosyl-22-O-angeloyl-A1-barrigenol
Molecular Formula C47H74O17
Molecular Weight 911.09
CAS Registry Number 1581304-26-8
SMILES CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Eryngium planum Roots 0.015000% Nat Prod Res . 2014;28(9):653-60 10.1080/14786419.2014.895722
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.31
TPSA 282.59 RotatableBonds 9
FractionCSP3 0.87 Rings 7
AromaticRings 0 AliphaticRings 7