TPCN04204

Name Ciwujianoside C3
Molecular Formula C53H86O21
Molecular Weight 1059.25
CAS Registry Number 114906-74-0
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(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
Ranunculaceae Anemone begoniifolia Whole plants 0.013000% J Asian Nat Prod Res 6(3): 211-215. 10.1080/10286020310001653264
Araliaceae Acanthopanax senticosus Fruits 0.000863% Chem Pharm Bull (Tokyo) 55(7): 1087-1089. 10.1248/cpb.55.1087
Properties
HBA 21 HBD 12
HeavyAtoms 74 AlogP -0.37
TPSA 333.67 RotatableBonds 10
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9