TPCN05485

Name Silenorubicosides D
Molecular Formula C66H104O36
Molecular Weight 1473.52
CAS Registry Number 857411-60-0
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OC6OC(CO)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Silene rubicunda Roots 0.000525% J Nat Prod. 2005. 68, 754-758. 10.1021/np049586j.
Properties
HBA 36 HBD 21
HeavyAtoms 102 AlogP -7.80
TPSA 586.80 RotatableBonds 18
FractionCSP3 0.92 Rings 11
AromaticRings 0 AliphaticRings 11