TPCN05328

Name ??-D-Glucopyranosiduronic acid, (3??,4??,16??)-28-[(O-6-deoxy-??-D-galactopyranosyl-(1??3)-O-[O-??-D-glucopyranosyl-(1??3)-O-[??-D-xylopyranosyl-(1??4)]-6-deoxy-??-L-mannopyranosyl-(1??2)]-??-L-arabinopyranosyl)oxy]-16-hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-??-D-galactopyranosyl- (9CI)
Molecular Formula C70H110O37
Molecular Weight 1543.61
CAS Registry Number 202645-08-7
SMILES CC1OC(OC2C(O)COC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Spergularia ramosa Aerial parts 0.004333% J Nat Prod. 1998. 61, 323-327. 10.1021/np970398l
Properties
HBA 37 HBD 20
HeavyAtoms 107 AlogP -6.99
TPSA 585.03 RotatableBonds 18
FractionCSP3 0.93 Rings 12
AromaticRings 0 AliphaticRings 12