TPCN05523

Name 4??-O-Acetyl-23-epi-26-deoxycimifugoside
Molecular Formula C39H56O11
Molecular Weight 700.87
CAS Registry Number 1228555-29-0
SMILES CC(=O)OC1COC(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OCC8(C)OC87)OC6CC3(C)C5=CCC4C2(C)C)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Actaea asiatica Subterraneous stems 0.000312% J Asian Nat Prod Res. 2009. 11, 588-596. 10.1080/10286020902819848
Properties
HBA 11 HBD 2
HeavyAtoms 50 AlogP 4.20
TPSA 142.51 RotatableBonds 4
FractionCSP3 0.90 Rings 9
AromaticRings 0 AliphaticRings 9