TPCN05540

Name 2??-O-Acetyl-25-O-ethyl-cimigenol-3-O-??-D-xylopyranoside
Molecular Formula C39H62O10
Molecular Weight 690.92
CAS Registry Number 1228555-31-4
SMILES CCOC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2OC(C)=O)C(C)(C)C5CCC4C1(C)C3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Actaea asiatica Subterraneous stems 0.000223% J Asian Nat Prod Res. 2009. 11, 588-596. 10.1080/10286020902819848
Properties
HBA 10 HBD 3
HeavyAtoms 49 AlogP 4.74
TPSA 133.14 RotatableBonds 6
FractionCSP3 0.97 Rings 8
AromaticRings 0 AliphaticRings 8