TPCN05902

Name Beesioside I
Molecular Formula C39H60O12
Molecular Weight 720.90
CAS Registry Number 98036-86-3
SMILES CC(=O)OC1C2C3(C)CCC(C(C)(C)O)(OCC24CCC25CC26CCC(OC2OCC(O)C(O)C2O)C(C)(C)C6CCC5C4(C)C1OC(C)=O)O3
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Beesia calthifolia Subterraneous stems 0.128571% J Nat Prod . 2002 Feb;65(2):147-52 10.1021/np010294h
Properties
HBA 12 HBD 4
HeavyAtoms 51 AlogP 3.38
TPSA 170.44 RotatableBonds 5
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8