TPCN01996

Name 11??, 13-dihydroreynosin-??-D-glucoside
Molecular Formula C21H32O8
Molecular Weight 412.48
CAS Registry Number 133086-85-8
SMILES C=C1CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)CCC3C(C)C(=O)OC3C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Sonchus arvensis Whole plants 0.000021% Fitoterapia 81(5): 424-428.(2010) 10.1016/j.fitote.2009.12.001
Properties
HBA 8 HBD 4
HeavyAtoms 29 AlogP 0.12
TPSA 125.68 RotatableBonds 3
FractionCSP3 0.86 Rings 4
AromaticRings 0 AliphaticRings 4