TPCN04129

Name Julibroside J32
Molecular Formula C92H148O48
Molecular Weight 2022.15
CAS Registry Number 1309354-84-4
SMILES C=CC(C)(CCC=C(CO)C(=O)OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(OC4OC(CO)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C)OC1OC(C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia julibrissin Barks 0.000045% Fitoterapia 81, 859-863 (2010). 10.1016/j.fitote.2010.05.014
Properties
HBA 48 HBD 27
HeavyAtoms 140 AlogP -9.42
TPSA 755.72 RotatableBonds 30
FractionCSP3 0.91 Rings 14
AromaticRings 0 AliphaticRings 14