TPCN05891

Name 3-O-[??-D-Galactopyranosyl-(1??2)-[??-L-arabinopyranosyl-(1??3)]-??-D-glucuronopyranosyl]quillaic acid 28-??-D-xylopyranosyl-(1??3)-??-D-xylopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1??2)-[6-deoxy-??-D-glucopyranosyl-(1??4)]-??-D-fucopyranosyl ester
Molecular Formula C75H118O40
Molecular Weight 1659.73
CAS Registry Number 1422049-84-0
SMILES CC1OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C(OC3OC(C)C(O)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Acanthophyllum gypsophiloides Roots 3.744898% Beilstein J Org Chem . 2012;8:763-75 10.3762/bjoc.8.87
Properties
HBA 40 HBD 21
HeavyAtoms 115 AlogP -7.50
TPSA 623.72 RotatableBonds 19
FractionCSP3 0.93 Rings 13
AromaticRings 0 AliphaticRings 13