TPCN05190

Name Xuedanoside I
Molecular Formula C36H60O8
Molecular Weight 620.87
CAS Registry Number 1447145-72-3
SMILES CC(=CCCC(C)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(O)CC12C)CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Hemsleya penxianensis Subterraneous stems 0.000095% Molecules 24, (2019) 10.3390/molecules24162937
Properties
HBA 8 HBD 6
HeavyAtoms 44 AlogP 4.10
TPSA 139.84 RotatableBonds 8
FractionCSP3 0.89 Rings 5
AromaticRings 0 AliphaticRings 5