TPCN04049

Name Bodiniosides N
Molecular Formula C36H56O11
Molecular Weight 664.83
CAS Registry Number 1936458-12-6
SMILES CC1(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C4(CCC(CO)(OC4=O)C3(C)O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Elsholtzia bodinieri Aerial parts 0.000106% Arch Pharm Res 39, 771-777 (2016). 10.1007/s12272-016-0750-8
Properties
HBA 11 HBD 7
HeavyAtoms 47 AlogP 1.57
TPSA 186.37 RotatableBonds 4
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8