TPCN05851

Name ??-D-Glucopyranosiduronic acid, (3??,4??,22??)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-glucopyranosyl-(1??3)]-O-??-D-glucopyranosyl-(1??2)- (9CI)
Molecular Formula C54H88O23
Molecular Weight 1105.28
CAS Registry Number 390798-34-2
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Astragalus trigonus Whole plants 0.000078% Z Naturforsch C J Biosci. 2001 Sep-Oct;56(9-10):699-702. 10.1515/znc-2001-9-1005.
Properties
HBA 23 HBD 14
HeavyAtoms 77 AlogP -1.47
TPSA 374.13 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9