TPCN06103

Name Shengmaxinside A
Molecular Formula C38H58O11
Molecular Weight 690.87
CAS Registry Number 1340473-39-3
SMILES CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(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 0.000885% Molecules . 2011 May 25;16(6):4348-57 10.3390/molecules16064348
Properties
HBA 11 HBD 5
HeavyAtoms 49 AlogP 2.97
TPSA 164.37 RotatableBonds 5
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8