LIPID MAPS

Structure Database (LMSD)

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Common Name

Arenaroside G

Systematic Name

3-O-β-d-glucopyranosyl-(1-2)-[β-d-xylopyranosyl-(1-2)-β-d-glucopyranosyl-(1-4)]-α-l-arabinopyranosyl-21β,28-diacetoxy-3β,15α,16α-trihydroxyolean-12-ene

Synonyms

LM ID

LMPR0106150056

Formula

C₅₆H₉₀O₂₅

Exact Mass

Calculate m/z

1162.577125

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Polycarpaea (#431020)

Magnoliopsida (#3398)

Arenarosides A-G, Polyhydroxylated Oleanane-Type Saponins from Polycarpaea arenaria and their Cytotoxic and Antiangiogenic Activities.,
J Nat Prod, 2021

Pubmed ID: 33459007

String Representations

InChiKey (Click to copy)

GERFPHGIHJGTAC-FXKIHUDVSA-N

InChi (Click to copy)

InChI=1S/C56H90O25/c1-23(59)74-22-56-26(16-51(3,4)46(45(56)71)75-24(2)60)25-10-11-32-53(7)14-13-34(52(5,6)31(53)12-15-54(32,8)55(25,9)17-33(56)62)79-49-43(81-48-42(70)39(67)36(64)28(18-57)76-48)38(66)30(21-73-49)78-50-44(40(68)37(65)29(19-58)77-50)80-47-41(69)35(63)27(61)20-72-47/h10,26-50,57-58,61-71H,11-22H2,1-9H3/t26-,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,53-,54+,55+,56-/m0/s1

SMILES (Click to copy)

C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@@]3(C)C[C@@H](O)[C@]3(COC(C)=O)[C@@]2([H])CC(C)(C)[C@@H](OC(C)=O)[C@@H]3O)C(C)(C)[C@@H](O[C@@H]2OC[C@H](O[C@H]3[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1