TPCN04189

Name Triploside A
Molecular Formula C67H108O31
Molecular Weight 1409.57
CAS Registry Number 141544-45-8
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(OC6OCC(O)C(O)C6O)C(O)C5O)C4O)C(O)C3O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Triplostegia grandiflora Roots 0.033898% Phytochemistry 30(10): 3401-3404. 10.1016/0031-9422(91)83217-9
Properties
HBA 31 HBD 16
HeavyAtoms 98 AlogP -2.75
TPSA 469.97 RotatableBonds 15
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12