TPCN03842

Name 3??-[(O-??-D-glucopyranosy1-(1??2)-??-L-arabinopyranosyl)oxy]olean-12-en28-oic acid O-??-L-rhamnopyranosyl-(1??4)- O-??-D-glucopyranosy1(1??6)-??-D-glucopyranosy1 ester;Ciwujianoside A1;Ciwujianoside A
Molecular Formula C59H96O26
Molecular Weight 1221.39
CAS Registry Number 120768-65-2
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Akebia trifoliata Stems 0.008200% Phytochemistry. 2006. 67, 2697-2705. 10.1016/j.phytochem.2006.09.003.
Berberidaceae Caulophyllum thalictroides Aerial parts 0.001050% J Nat Prod 72(6): 1155-1160. 10.1021/np900164b
Schisandraceae Kadsura ananosma Stems 0.000500% J Nat Prod, 2010, 73, 12-16. 10.1021/np900506g
Araliaceae Acanthopanax senticosus Fruits 0.000360% Chem Pharm Bull (Tokyo) 55(7): 1087-1089. 10.1248/cpb.55.1087
Araliaceae Acanthopanax brachypus Barks 0.000075% Chem Pharm Bull (Tokyo) . 2009 Sep;57(9):1000-3 10.1248/cpb.57.1000
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.54
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10