TPCN05910

Name Dipsacus saponin C
Molecular Formula C64H104O30
Molecular Weight 1353.51
CAS Registry Number 152406-43-4
SMILES CC1OC(OC2C(C)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)CO)OCC(O)C3O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Dipsacus asper Roots 0.066000% J Nat Prod . 1993 Nov;56(11):1912-6 10.1021/np50101a007
Properties
HBA 30 HBD 17
HeavyAtoms 94 AlogP -3.52
TPSA 471.74 RotatableBonds 16
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11