TPCN05016

Name 3-O-a-L-rhamnopyranosyl-(1 ?? 4)-b-D-glucuronopyranosyl-22-O-angeloylA1-barrigenol
Molecular Formula C47H74O16
Molecular Weight 895.09
CAS Registry Number 1643982-89-1
SMILES CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C)C(O)C(O)C7O)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 kotschyi Roots 0.001375% Phytochemistry 110, 160-165 (2015) 10.1016/j.phytochem.2014.11.017
Properties
HBA 16 HBD 9
HeavyAtoms 63 AlogP 2.34
TPSA 262.36 RotatableBonds 8
FractionCSP3 0.87 Rings 7
AromaticRings 0 AliphaticRings 7