(Q72471101)

English

Esculentoside C

chemical compound

Phytolaccoside D
(3beta,4alpha,20beta)-3-[(4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioic acid 29-methyl ester
NMDFCFOQBAHNPV-RFTJXAPBSA-N

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instance of

type of chemical entity

0 references

1 reference

10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

810.440171412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₆O₁₅

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canonical SMILES

O=C(O)C12CCC(C(=O)OC)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1

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isomeric SMILES

COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Phytolacca acinosa

2 references

stated in

A new triterpenoid saponin from the roots of Phytolacca acinosa

stated in

Rabbit conjunctivae edema and release of NO, TNF-α, and IL-1β from macrophages induced by fractions and esculentosides isolated from Phytolacca americana