TPCN00001

Name Cyclopenta[c]pyran-4-carboxylic acid, 6-[[[(2S,3R,4S)-3-ethenyl-2-(??-D-glucopyranosyloxy)-3,4-dihydro-4-(2-hydroxy-2-methoxyethyl)-2H-pyran-5-yl]carbonyl]oxy]-1-(??-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, (1S,4aS,6S,7R,7aS)- (ACI)
Molecular Formula C34H50O20
Molecular Weight 778.75
CAS Registry Number 1220865-48-4
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC(O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Pterocephalus pinardii Aerial parts 0.001818% Magn Reson Chem, 2010, 48, 239-243. 10.1002/mrc.2559
Properties
HBA 20 HBD 9
HeavyAtoms 54 AlogP -3.77
TPSA 299.28 RotatableBonds 13
FractionCSP3 0.76 Rings 5
AromaticRings 0 AliphaticRings 5