TPCN01789

Name 1S-diacetyloxy-4S,6R-dihydroxy-9S-benzoyloxy13-cinnamoyloxy-??-dihydroagarofuran
Molecular Formula C33H38O9
Molecular Weight 578.66
CAS Registry Number 220209-72-3
SMILES CC(=O)OC1CCC(C)(O)C23OC(C)(C)C(CC(OC(=O)c4ccccc4)C12COC(=O)C=Cc1ccccc1)C3O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Euonymus nanoides Seeds 0.000117% Chem Pharm Bull (Tokyo) 54(2): 219-221.(2006) 10.1248/cpb.54.219
Properties
HBA 9 HBD 2
HeavyAtoms 42 AlogP 3.86
TPSA 128.59 RotatableBonds 7
FractionCSP3 0.48 Rings 5
AromaticRings 2 AliphaticRings 3