TPCN06243

Name Xuedanoside B
Molecular Formula C38H60O14
Molecular Weight 740.88
CAS Registry Number 2525095-51-4
SMILES CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)CC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Cucurbitaceae Hemsleya amabilis Subterraneous stems 0.000126% 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