TPCN05353
Name | 3-O-[a-D-galactopyranosyl-(1f2)-a-D-glucuronopyranosyl]quillaic acid-28-O-[R-L-arabinopyranosyl-(1f2)-R-L-arabinopyranosyl-(1f3)-a-D-xylopyranosyl-(1f4)-R-L-rhamnopyranosyl-(1f2)]-[6-O-acetyl-a-D-glucopyranosyl-(1f3)]-4-O-acetyl-a-D-fucopyranoside |
Molecular Formula | C79H122O43 |
Molecular Weight | 1759.80 |
CAS Registry Number | 475489-58-8 |
SMILES | CC(=O)OCC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3OC3OCC(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Silene fortunei | Roots | 0.002800% | J Nat Prod. 2002. 65, 1568-1572. | 10.1021/np020105a. |
Properties
HBA | 43 | HBD | 20 |
HeavyAtoms | 122 | AlogP | -7.38 |
TPSA | 656.09 | RotatableBonds | 22 |
FractionCSP3 | 0.91 | Rings | 13 |
AromaticRings | 0 | AliphaticRings | 13 |