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