TPCN01416

Name 3??, 7??-Dibydroxy-5??,6??-epoxyeudesm-4(15)-ene-11-(O-??-D-fucopyranoside-2', 4'-diangelate-3'-metbylbutyrate)
Molecular Formula C36H54O11
Molecular Weight 662.82
CAS Registry Number 151625-92-2
SMILES C=C1C(O)CCC2(C)CCC(O)(C(C)(C)OC3OC(C)C(OC(=O)C(C)=CC)C(OC(=O)C(C)CC)C3OC(=O)C(C)=CC)C3OC132
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Calendula arvensis Aerial parts 0.000500% J Nat Prod 56, 1821-1824(1993) 10.1021/np50100a025
Properties
HBA 11 HBD 2
HeavyAtoms 47 AlogP 4.62
TPSA 150.35 RotatableBonds 10
FractionCSP3 0.75 Rings 4
AromaticRings 0 AliphaticRings 4