TPCN05848

Name ??-D-Glucopyranosiduronic acid, (3??,4??)-28-[(O-??-L-arabinofuranosyl-(1??3)-O-[O-??-D-xylopyranosyl-(1??4)-6-deoxy-??-L-mannopyranosyl-(1??2)]-4-O-acetyl-6-deoxy-??-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-??-D-galactopyranosyl-, butyl ester (9CI, ACI)
Molecular Formula C70H110O32
Molecular Weight 1463.62
CAS Registry Number 318959-53-4
SMILES CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(C)C(OC(C)=O)C(OC6OC(CO)C(O)C6O)C5OC5OC(C)C(OC6OCC(O)C(O)C6O)C(O)C5O)CCC34C)C2(C)C=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Vaccaria segetalis Seeds 0.000080% J Asian Nat Prod Res. 2000;2(3):187-93. 10.1080/10286020008039910.
Properties
HBA 32 HBD 14
HeavyAtoms 102 AlogP -1.95
TPSA 480.72 RotatableBonds 20
FractionCSP3 0.91 Rings 11
AromaticRings 0 AliphaticRings 11