(Q105312574)

English

Assamsaponin I

group of stereoisomers with the chemical formula C₆₀H₉₂O₂₈

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Statements

group of stereoisomers

0 references

oleanane triterpenoid

1 reference

oleanane triterpenoid

1,260.577512304 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₀H₉₂O₂₈

0 references

canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OCC(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C2OC5OC(CO)C(O)C(O)C5O)CCC6(C)C1CCC7(C)C6CC=C8C9CC(C)(C)C(OC(=O)C(=CC)C)C(O)C9(COC(=O)C)C(O)CC87C

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isomeric SMILES

C/C=C(\C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2CC1(C)C

1 reference

based on heuristic

inferred from InChI

Camellia sinensis

2 references

Bioactive saponins and glycosides. XV. Saponin constituents with gastroprotective effect from the seeds of tea plant, Camellia sinensis L. var. assamica Pierre, cultivated in Sri Lanka: structures of assamsaponins A, B, C, D, and E

Bioactive saponins and glycosides. XVII. Inhibitory effect on gastric emptying and accelerating effect on gastrointestinal transit of tea saponins: structures of assamsaponins F, G, H, I, and J from the seeds and leaves of the tea plant

Identifiers

InChI=1S/C60H92O28/c1-10-24(2)50(78)88-48-47(75)60(23-80-25(3)64)27(17-55(48,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)66)83-54-46(87-52-41(73)39(71)37(69)30(20-62)82-52)43(42(74)44(85-54)49(76)77)84-53-45(35(67)28(65)21-79-53)86-51-40(72)38(70)36(68)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,65-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10+

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WTISBQNOTSKOOZ-YSURURNPSA-N

0 references

2 references

15 September 2022

matched by identifier from

WTISBQNOTSKOOZ-YSURURNPSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WTISBQNOTSKOOZ-YSURURNPSA-N

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