TPCN06319

Name Asprelloside D
Molecular Formula C47H74O17
Molecular Weight 911.09
CAS Registry Number 2377393-60-5
SMILES C=C1C(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex asprella Roots 0.000040% Chem Biodivers . 2019 Jul;16(7):e1900202 10.1002/cbdv.201900202
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 0.56
TPSA 274.75 RotatableBonds 8
FractionCSP3 0.89 Rings 8
AromaticRings 0 AliphaticRings 8