TPCN04838

Name Compound 4
Molecular Formula C59H96O26
Molecular Weight 1221.39
CAS Registry Number 108905-34-6
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Patrinia scabiosaefolia Roots 0.042857% Planta Med 53, 62-65 (1987). 10.1055/s-2006-962622
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.54
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10