TPCN05607

Name Julibroside J39
Molecular Formula C102H162O49
Molecular Weight 2172.37
CAS Registry Number 2412966-59-5
SMILES C=CC(C)(CCC=C(C)C(=O)OC1C(OC(C)(C=C)CCC=C(CO)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(COC8OC(C)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)OC(C)C(O)C1O)OC1OC(C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia julibrissin Barks 0.000084% Fitoterapia. 2017. 121, 183-193. 10.1016/j.fitote.2017.07.015
Properties
HBA 49 HBD 26
HeavyAtoms 151 AlogP -6.18
TPSA 761.79 RotatableBonds 35
FractionCSP3 0.87 Rings 14
AromaticRings 0 AliphaticRings 14