TPCN06083

Name Shengmaxinside B
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 1340473-40-6
SMILES CC1CC2OC3(OC2C(C)(C)O)C1C1(C)CCC24CC25CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CC=C4C1(C)C3O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga simplex Roots 0.001077% Molecules . 2011 May 25;16(6):4348-57 10.3390/molecules16064348
Properties
HBA 10 HBD 6
HeavyAtoms 46 AlogP 2.40
TPSA 158.30 RotatableBonds 4
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8