TPCN06248

Name Xuedanoside D
Molecular Formula C36H58O11
Molecular Weight 666.85
CAS Registry Number 2525095-57-0
SMILES CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Hemsleya amabilis Subterraneous stems 0.000118% Fitoterapia . 2019 Nov;139:104404 10.1016/j.fitote.2019.104404
Properties
HBA 11 HBD 7
HeavyAtoms 47 AlogP 1.80
TPSA 194.21 RotatableBonds 8
FractionCSP3 0.89 Rings 5
AromaticRings 0 AliphaticRings 5