TPCN05730

Name Gummiferaosides D
Molecular Formula C124H196O60
Molecular Weight 2646.87
CAS Registry Number 2152644-41-0
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(OC(=O)C(C)=CCCC(C)(C=C)OC2C(O)OC(C)C(OC(=O)C(C)=CCCC(C)(C=C)OC3C(O)OC(C)C(O)C3O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia gummifera Roots 0.001933% Chem Biodivers. 2017 Oct;14(10). 10.1002/cbdv.201700260.
Properties
HBA 60 HBD 31
HeavyAtoms 184 AlogP -7.29
TPSA 926.16 RotatableBonds 46
FractionCSP3 0.85 Rings 16
AromaticRings 0 AliphaticRings 16