TPCN05509

Name Silenorubicosides B
Molecular Formula C76H116O40
Molecular Weight 1669.72
CAS Registry Number 857411-55-3
SMILES CC(=O)OCC1OC(OC2C(OC(C)=O)C(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)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC(C)=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Silene rubicunda Roots 0.000350% J Nat Prod. 2005. 68, 754-758. 10.1021/np049586j.
Properties
HBA 40 HBD 17
HeavyAtoms 116 AlogP -5.27
TPSA 603.24 RotatableBonds 21
FractionCSP3 0.89 Rings 12
AromaticRings 0 AliphaticRings 12