18 Known Ingredients in Total


Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC95914
Formula: C21H32O5

Ingredient ID: NPC78750
Formula: C21H32O11

Ingredient ID: NPC67796
Formula: C20H32O4

Ingredient ID: NPC48354
Formula: C21H36O3

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC281930
Formula: C22H34O5

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC266960
Formula: C17H14O7

Ingredient ID: NPC244694
Formula: C19H22O5

Ingredient ID: NPC236689
Formula: C12H17NO8

Ingredient ID: NPC235341
Formula: C30H48O2

Ingredient ID: NPC222768
Formula: C25H30O8

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC187671
Formula: C23H30O8

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC137240
Formula: C25H30O8

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC137240 C25H30O8 458.1940679 3.7533 3.33 3.533 8 1 116.2 7 2 33 0
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC187671 C23H30O8 [(3aS,4S,5S,6E,10E,11aR)-6-formyl-10-methyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-hydroxy-2-methylpropanoate 434.1940679 1.9614 3.11 1.765 8 1 116.2 7 2 31 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC222768 C25H30O8 458.1940679 2.71 3.33 2.155 8 1 116.2 8 2 33 0
NPC235341 C30H48O2 Ursolaldehyde 440.37 2.1772 4.54 9.466 2 1 37.3 9 5 32 1
NPC236689 C12H17NO8 (1S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile 303.0954165 -3.011 1.79 -2.617 9 6 163.63 3 2 21 1
NPC244694 C19H22O5 [(3aR,4R,5E,7Z,10Z,11aR)-6-formyl-10-methyl-3-methylidene-2-oxo-3a,4,9,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate 330.1467238 2.4401 3 2.494 5 0 69.67 4 2 24 0
NPC266960 C17H14O7 3,6-Dimethoxy Kaempferol 330.07 -2.3282 2.56 1.363 2 3 105.45 8 3 24 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC281930 C22H34O5 378.2406242 2.8294 3.33 3.818 5 1 72.83 10 1 27 0
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC48354 C21H36O3 336.266445 1.9749 3.44 4.225 3 2 49.69 8 1 24 0
NPC67796 C20H32O4 336.2300595 2.4503 3.22 3.078 4 2 66.76 8 1 24 0
NPC78750 C21H32O11 methyl (2S,3R,4S)-4-[[(4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 460.1944618 -2.5618 2.56 0.261 11 4 153.37 8 3 32 1
NPC95914 C21H32O5 364.2249741 2.3806 3.22 3.46 5 1 72.83 9 1 26 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
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