TPCN04334

Name Lysikokianoside 1
Molecular Formula C52H86O21
Molecular Weight 1047.24
CAS Registry Number 126882-54-0
SMILES CC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Lysimachia clethroides Aerial parts 0.001500% J Nat Prod 74(10): 2128-2136. 10.1021/np2004038
Properties
HBA 21 HBD 12
HeavyAtoms 73 AlogP -1.07
TPSA 325.83 RotatableBonds 10
FractionCSP3 1.00 Rings 10
AromaticRings 0 AliphaticRings 10