TPCN05597

Name ??-D-Glucopyranoside, (3??,21??,22??)-28-[[2-O-(6-deoxy-??-L-mannopyranosyl)-??-D-glucopyranosyl]oxy]-21,22-dihydroxyolean-12-en-3-yl 6-O-??-D-glucopyranosyl-, 2-(2-methyl-2-butenoate) (ACI)
Molecular Formula C59H96O24
Molecular Weight 1189.39
CAS Registry Number 1239977-71-9
SMILES CC=C(C)C(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(O)C(O)C5(COC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC34C)C2(C)C)OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Husks 0.000093% J Nat Med. 2010. 64, 80-84. 10.1007/s11418-009-0359-z
Properties
HBA 24 HBD 14
HeavyAtoms 83 AlogP -1.08
TPSA 383.36 RotatableBonds 14
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9