TPCN05521

Name Silenorubicosides A
Molecular Formula C79H122O41
Molecular Weight 1727.80
CAS Registry Number 857411-52-0
SMILES CC(=O)OC1C(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)C(O)C1OC(C)=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Silene rubicunda Roots 0.000313% J Nat Prod. 2005. 68, 754-758. 10.1021/np049586j.
Properties
HBA 41 HBD 18
HeavyAtoms 120 AlogP -5.33
TPSA 615.63 RotatableBonds 21
FractionCSP3 0.91 Rings 13
AromaticRings 0 AliphaticRings 13