TPCN05318

Name Silenoside A
Molecular Formula C64H100O31
Molecular Weight 1365.47
CAS Registry Number 229484-38-2
SMILES CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Silene vulgaris Roots 0.005200% J Nat Prod. 1999. 62, 717-721. 10.1021/np980505r.
Properties
HBA 31 HBD 16
HeavyAtoms 95 AlogP -3.78
TPSA 485.65 RotatableBonds 15
FractionCSP3 0.92 Rings 11
AromaticRings 0 AliphaticRings 11