TPCN05632

Name Julibroside J46
Molecular Formula C108H172O52
Molecular Weight 2302.51
CAS Registry Number 2412966-66-4
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)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O)OC1OC(C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia julibrissin Barks 0.000056% Fitoterapia. 2017. 121, 183-193. 10.1016/j.fitote.2017.07.015
Properties
HBA 52 HBD 27
HeavyAtoms 160 AlogP -6.30
TPSA 800.48 RotatableBonds 37
FractionCSP3 0.88 Rings 15
AromaticRings 0 AliphaticRings 15