TPCN04110

Name Bodinioside Q;Bodiniosides Q
Molecular Formula C47H76O18
Molecular Weight 929.11
CAS Registry Number 2445540-55-4
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Elsholtzia bodinieri Aerial parts 0.000059% Nat Prod Res, 2020, 1-9. 10.1080/14786419.2020.1721489
Lamiaceae Elsholtzia bodinieri Aerial parts 0.000059% None 10.1080/14786419.2020.1721489
Properties
HBA 18 HBD 11
HeavyAtoms 65 AlogP -0.25
TPSA 294.98 RotatableBonds 8
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8