TPCN06352

Name Tomentoside T1
Molecular Formula C47H76O16
Molecular Weight 897.11
CAS Registry Number 2245699-57-2
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(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone tomentosa Roots 0.000208% None 10.1080/14786419.2019.1578765
Properties
HBA 16 HBD 9
HeavyAtoms 63 AlogP 2.37
TPSA 254.52 RotatableBonds 8
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8