TPCN06041

Name 3-O-??-L-rhamnopyranosyl-(1??2)-??-D-glucuronopyranosyl-22-O-??,??-dimethylacryloyl-A1-barrigenol
Molecular Formula C47H74O16
Molecular Weight 895.09
CAS Registry Number 907594-38-1
SMILES CC(C)=CC(=O)OC1CC(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)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Eryngium campestre Roots 0.002000% J Nat Prod . 2006 Jul;69(7):1105-8 10.1021/np060101w
Properties
HBA 16 HBD 9
HeavyAtoms 63 AlogP 2.34
TPSA 262.36 RotatableBonds 8
FractionCSP3 0.87 Rings 7
AromaticRings 0 AliphaticRings 7