TPCN05389

Name Glandulosides C;(3-O-??-D-galactopyranosyl-(1 ??2)-[???D-xylopyranosyl-(1 ?? 3)]-??-D-glucuronopyranosyl-gypsogenin-28-O-??-D-xylopyranosyl-(1 ?? 3)-??-D-xylopyranosyl-(1 ?? 4)-??-L-rhamnopyranosyl-(1 ?? 2)-3,4-di-O-acetyl-??-D-fucopyranoside)
Molecular Formula C73H112O37
Molecular Weight 1581.66
CAS Registry Number 745031-68-9
SMILES CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C1OC(C)=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Abelmoschus sagittifolius Roots 0.001800% J Nat Prod. 2004. 67, 1114-1118. 10.1021/np040001v.
Crassulaceae Acanthophyllum glandulosum Roots 0.001800% Planta Med. 2016. 82, 1553-1557. 10.1055/s-0042-110575
Properties
HBA 37 HBD 16
HeavyAtoms 110 AlogP -4.18
TPSA 556.71 RotatableBonds 19
FractionCSP3 0.90 Rings 12
AromaticRings 0 AliphaticRings 12