TPCN05198

Name Xuedanoside J
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 2488855-39-4
SMILES CC(CCC=C(CO)CO)C1CCC2(C)C3C(=O)C=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 penxianensis Subterraneous stems 0.000087% Molecules 24, (2019) 10.3390/molecules24162937
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 2.46
TPSA 173.98 RotatableBonds 9
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5