TPCN05366

Name Glandulosides D
Molecular Formula C77H120O40
Molecular Weight 1685.77
CAS Registry Number 745031-69-0
SMILES CC(=O)OC1C(O)C(C)OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Acanthophyllum glandulosum Roots 0.002400% J Nat Prod. 2004. 67, 1114-1118. 10.1021/np040001v.
Properties
HBA 40 HBD 19
HeavyAtoms 117 AlogP -5.90
TPSA 609.56 RotatableBonds 20
FractionCSP3 0.92 Rings 13
AromaticRings 0 AliphaticRings 13