TPCN03565

Name 25-anhydrocimicigenol-3-O-beta-D-(2'-O-acetyl)xylopyranoside
Molecular Formula C37H56O9
Molecular Weight 644.85
CAS Registry Number 910114-84-0
SMILES C=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 Souliea vaginata Subterraneous stems 0.002500% Chem Pharm Bull (Tokyo) 54, 823-826 (2006). 10.1248/cpb.54.823
Properties
HBA 9 HBD 3
HeavyAtoms 46 AlogP 4.50
TPSA 123.91 RotatableBonds 4
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8