24 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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC88768
Formula: C48H76O17

Ingredient ID: NPC74210
Formula: C30H26O14

Ingredient ID: NPC74054
Formula: C10H12O6

Ingredient ID: NPC4446
Formula: C47H76O17

Ingredient ID: NPC4103
Formula: C5H6O3

Ingredient ID: NPC307248
Formula: C42H66O13

Ingredient ID: NPC298234
Formula: C43H77NO4

Ingredient ID: NPC277216
Formula: C41H71NO4

Ingredient ID: NPC27230
Formula: C46H74O16

Ingredient ID: NPC270768
Formula: C30H48O4

Ingredient ID: NPC246943
Formula: C27H30O15

Ingredient ID: NPC19240
Formula: C30H26O13

Ingredient ID: NPC190243
Formula: C48H76O17

Ingredient ID: NPC178134
Formula: C14H6O8

Ingredient ID: NPC149184
Formula: C20H40O2

Ingredient ID: NPC146681
Formula: C43H75NO4

Ingredient ID: NPC14030
Formula: C27H22O18

Ingredient ID: NPC139548
Formula: C10H8O4

Ingredient ID: NPC1321
Formula: C9H10O5

Ingredient ID: NPC125164
Formula: C10H12O6

Ingredient ID: NPC116857
Formula: C46H74O16

Ingredient ID: NPC116775
Formula: C15H10O6

Ingredient ID: NPC111929
Formula: C21H20O10

Ingredient ID: NPC10564
Formula: C50H78O18

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC10564 C50H78O18 (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S)-4-[(2S,3R,4S,5S)-3,4-diacetyloxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 966.5188157 -1.922 4.98 5.549 18 7 266.66 13 8 68 4
NPC111929 C21H20O10 Afzelin 432.11 -3.9318 2.67 0.883 6 6 166.14 10 4 31 1
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC116857 C46H74O16 (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 882.4976863 -2.6802 4.76 4.927 16 9 254.52 9 8 62 2
NPC125164 C10H12O6 228.0633881 -1.3973 1.9 -1.325 6 1 82.06 2 3 16 0
NPC1321 C9H10O5 Ethylgallate 198.05 -1.1193 1.9 0.746 2 3 86.99 7 1 14 0
NPC139548 C10H8O4 Isoscopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC14030 C27H22O18 Corilagin 634.08 -5.5485 2.45 -1.779 9 11 310.66 14 5 45 1
NPC146681 C43H75NO4 669.5696099 -4.7406 5.64 17.572 5 0 76.39 38 0 48 2
NPC149184 C20H40O2 Elcosanoic Acid 312.3 -5.0497 3.44 9.846 2 1 37.3 20 0 22 2
NPC178134 C14H6O8 Ellagic Acid 302.01 -2.0234 2.12 -0.046 2 4 133.52 4 4 22 0
NPC190243 C48H76O17 (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 924.508251 -2.3011 4.87 4.809 17 8 260.59 10 8 65 2
NPC19240 C30H26O13 Tiliroside 594.14 -4.1618 3.33 2.457 8 7 212.67 15 5 43 1
NPC246943 C27H30O15 594.1584703 -5.6787 2.78 -0.225 11 9 245.29 16 5 42 2
NPC270768 C30H48O4 Hederagenin 472.36 1.0391 4.32 8.349 4 3 77.76 11 5 34 1
NPC27230 C46H74O16 (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 882.4976863 -2.6802 4.76 4.498 16 9 254.52 8 8 62 2
NPC277216 C41H71NO4 641.5383098 -4.1646 5.42 16.434 5 0 76.39 36 0 46 2
NPC298234 C43H77NO4 671.5852599 -6.8716 5.64 18.088 5 0 76.39 39 0 48 2
NPC307248 C42H66O13 778.4503422 -1.0542 4.65 5.214 13 6 201.67 8 7 55 3
NPC4103 C5H6O3 3-(hydroxymethyl)-2H-furan-5-one 114.0316941 -0.3627 1.68 -0.878 3 1 46.53 1 1 8 0
NPC4446 C47H76O17 912.508251 -3.1909 4.76 4.255 17 10 274.75 9 8 64 2
NPC74054 C10H12O6 228.0633881 -1.3973 1.9 -1.325 6 1 82.06 1 3 16 0
NPC74210 C30H26O14 610.1322555 -4.6221 3.22 1.712 8 8 232.9 8 5 44 1
NPC88768 C48H76O17 (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S)-4-[(2S,3R,4R,5S)-4-acetyloxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 924.508251 -2.3011 4.87 4.809 17 8 260.59 11 8 65 3

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