LIPID MAPS

Structure Database (LMSD)

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Common Name

Arenaroside A

Systematic Name

3-O-β-d-glucopyranosyl-(1-2)-[β-d-xylopyranosyl-(1-2)-β-d-glucopyranosyl-(1-4)]-α-l-arabinopyranosyl-3β,15α,16α,22α,28-pentahydroxyolean-12-ene

Synonyms

LM ID

LMPR0106150050

Formula

C₅₂H₈₆O₂₃

Exact Mass

Calculate m/z

1078.555995

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)

XLQNULRVEDQMFT-OHROSJRHSA-N

InChi (Click to copy)

InChI=1S/C52H86O23/c1-47(2)14-22-21-8-9-28-49(5)12-11-30(48(3,4)27(49)10-13-50(28,6)51(21,7)41(66)42(67)52(22,20-55)29(57)15-47)73-45-39(75-44-38(65)35(62)32(59)24(16-53)70-44)34(61)26(19-69-45)72-46-40(36(63)33(60)25(17-54)71-46)74-43-37(64)31(58)23(56)18-68-43/h8,22-46,53-67H,9-20H2,1-7H3/t22-,23+,24+,25+,26-,27-,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45-,46-,49-,50+,51-,52+/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@@H](O)[C@@H](O)[C@]3(CO)[C@@]2([H])CC(C)(C)C[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