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 |