TPCN00099

Name (6S)-2-trans-2,6-dimethyl-6-[3-o-(??-D-giucopyranosyl)-4-o-(2-methylbutyroyl)-??-L-arabino-pyranosyloxy]-2,7-octadienoic acid
Molecular Formula C26H42O13
Molecular Weight 562.61
CAS Registry Number 92751-84-3
SMILES C=CC(C)(CCC=C(C)C(=O)O)OC1OCC(OC(=O)C(C)CC)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Gymnocladus chinensis Fruits 0.006000% Chem Pharm Bull (Tokyo), 1984, 32, 2617-2621. 10.1248/cpb.32.2617
Properties
HBA 13 HBD 6
HeavyAtoms 39 AlogP -0.38
TPSA 201.67 RotatableBonds 13
FractionCSP3 0.77 Rings 2
AromaticRings 0 AliphaticRings 2