TPCN06291

Name Asprelloside H
Molecular Formula C41H66O15S
Molecular Weight 831.03
CAS Registry Number 2377393-66-1
SMILES CC1=CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(OS(=O)(=O)O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex asprella Roots 0.000060% Chem Biodivers . 2019 Jul;16(7):e1900202 10.1002/cbdv.201900202
Properties
HBA 15 HBD 7
HeavyAtoms 57 AlogP 2.64
TPSA 238.97 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7