TPCN06344

Name Yunganoside E3
Molecular Formula C36H52O10
Molecular Weight 644.80
CAS Registry Number 1557396-45-8
SMILES CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OC(C(=O)O)C(O)C(O)C4O)C(C)(C)C2CCC13C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Glycyrrhiza yunnanensis Roots 0.000011% J Pharm Biomed Anal . 2014 Mar;90:15-26 10.1016/j.jpba.2013.11.021
Properties
HBA 10 HBD 5
HeavyAtoms 46 AlogP 4.25
TPSA 170.82 RotatableBonds 4
FractionCSP3 0.81 Rings 6
AromaticRings 0 AliphaticRings 6