TPCN06102

Name Shengmaxinside C
Molecular Formula C38H60O12
Molecular Weight 708.89
CAS Registry Number 1340473-41-7
SMILES CC(=O)OC(C1CC(C)C2C(O)(O1)C(O)C1(C)C3=CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC21C)C(C)(C)O
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 12 HBD 7
HeavyAtoms 50 AlogP 1.93
TPSA 195.60 RotatableBonds 6
FractionCSP3 0.92 Rings 7
AromaticRings 0 AliphaticRings 7