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 |