TPCN03586

Name ??-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-??-D-fructofuranosyl, 6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
Molecular Formula C35H44O19
Molecular Weight 768.72
CAS Registry Number 139726-37-7
SMILES COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3OC(=O)C=Cc3cc(OC)c(OC)c(OC)c3)C(O)C(O)C2O)cc(OC)c1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex kudingcha Leaves 0.002167% J Asian Nat Prod Res 14, 308-313 (2012). 10.1080/10286020.2011.653347
Properties
HBA 19 HBD 7
HeavyAtoms 54 AlogP -1.12
TPSA 268.05 RotatableBonds 16
FractionCSP3 0.49 Rings 4
AromaticRings 2 AliphaticRings 2