TPCN04693

Name Clethroidoside G
Molecular Formula C47H76O18
Molecular Weight 929.11
CAS Registry Number 1335200-70-8
SMILES CC1(C)CCC2(C=O)C(O)CC3(C)C(C(=O)CC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Lysimachia clethroides Aerial parts 0.000100% J Nat Prod 74(10): 2128-2136. 10.1021/np2004038
Properties
HBA 18 HBD 10
HeavyAtoms 65 AlogP -0.31
TPSA 291.82 RotatableBonds 9
FractionCSP3 0.96 Rings 8
AromaticRings 0 AliphaticRings 8