TPCN03797

Name Spathodic acid 28-O-??-D-glucopyranoside
Molecular Formula C36H58O10
Molecular Weight 650.85
CAS Registry Number 870559-41-4
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex litseaefolia Stems 0.000646% J Nat Prod 68, 1531-1535 (2005). 10.1021/np050285z
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 2.44
TPSA 177.14 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6