TPCN04797

Name 25-O-acetylcimigenol-3-O-??-d-xylopyranoside
Molecular Formula C37H58O10
Molecular Weight 662.86
CAS Registry Number 27994-12-3
SMILES CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000013% Nat Prod Bioprospect 9(4): 303-310. 10.1007/s13659-019-0214-1
Properties
HBA 10 HBD 4
HeavyAtoms 47 AlogP 3.69
TPSA 144.14 RotatableBonds 4
FractionCSP3 0.97 Rings 8
AromaticRings 0 AliphaticRings 8