TPCN06025

Name 3-O-??-L-rhamnopyranosyl-(1??2)-??-D-glucuronopyranosyl-22-O-angeloyl-R1-barrigenol
Molecular Formula C47H74O17
Molecular Weight 911.09
CAS Registry Number 907594-40-5
SMILES CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Eryngium campestre Roots 0.002667% J Nat Prod . 2006 Jul;69(7):1105-8 10.1021/np060101w
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.31
TPSA 282.59 RotatableBonds 8
FractionCSP3 0.87 Rings 7
AromaticRings 0 AliphaticRings 7