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 |