TPCN06228

Name Xuedanoside A
Molecular Formula C38H60O14
Molecular Weight 740.88
CAS Registry Number 2525095-46-7
SMILES CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Hemsleya amabilis Subterraneous stems 0.000172% Fitoterapia . 2019 Nov;139:104404 10.1016/j.fitote.2019.104404
Properties
HBA 14 HBD 8
HeavyAtoms 52 AlogP 0.31
TPSA 240.74 RotatableBonds 9
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5