TPCN03963

Name Bodiniosides M
Molecular Formula C49H78O19
Molecular Weight 971.14
CAS Registry Number 1936458-11-5
SMILES CC(=O)OCC1(C)C(OC2OCC(O)C(O)C2O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)(CCC(C)C3(C)O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Elsholtzia bodinieri Aerial parts 0.000224% Arch Pharm Res 39, 771-777 (2016). 10.1007/s12272-016-0750-8
Properties
HBA 19 HBD 10
HeavyAtoms 68 AlogP 0.32
TPSA 301.05 RotatableBonds 9
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8