TPCN05392

Name 3-O-??-D-galactopyranosyl-(1 ?? 2)-[??-D-xylopyranosyl-(1 ?? 3)]-??-D-glucuronopyranosylquillaic acid 28-O-??-D-xylopyranosyl-(1 ?? 4)-[??-D-glucopyranosyl-(1 ?? 3)]-??-L-rhamnopyranosyl-(1 ?? 2)-[??-D-glucopyranosyl-(1 ?? 4)]-??-D-fucopyranosyl ester
Molecular Formula C76H120O42
Molecular Weight 1705.75
CAS Registry Number 1605299-39-5
SMILES CC1OC(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)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Crassulaceae Acanthophyllum glandulosum Roots 0.001720% Planta Med. 2016. 82, 1553-1557. 10.1055/s-0042-110575
Properties
HBA 42 HBD 23
HeavyAtoms 118 AlogP -9.16
TPSA 664.18 RotatableBonds 21
FractionCSP3 0.93 Rings 13
AromaticRings 0 AliphaticRings 13