TPCN04135

Name Julibroside J35
Molecular Formula C100H158O48
Molecular Weight 2128.32
CAS Registry Number 1309354-85-5
SMILES C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC2CC3(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(OC5OC(CO)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O)OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia julibrissin Barks 0.000040% Fitoterapia 81, 859-863 (2010). 10.1016/j.fitote.2010.05.014
Properties
HBA 48 HBD 25
HeavyAtoms 148 AlogP -5.93
TPSA 741.56 RotatableBonds 34
FractionCSP3 0.87 Rings 14
AromaticRings 0 AliphaticRings 14