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 |