LIPID MAPS

Structure Database (LMSD)

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Common Name

Arenaroside B

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, 22α-tetrahydroxyolean-12-ene

Synonyms

LM ID

LMPR0106150051

Formula

C₅₆H₉₀O₂₆

Exact Mass

Calculate m/z

1178.57204

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)

TYPGPDWXCCFLGR-IXMUVPBWSA-N

InChi (Click to copy)

InChI=1S/C56H90O26/c1-22(59)75-21-56-25(16-51(3,4)46(45(56)72)76-23(2)60)24-10-11-31-53(7)14-13-32(52(5,6)30(53)12-15-54(31,8)55(24,9)43(70)44(56)71)80-49-41(82-48-40(69)37(66)34(63)27(17-57)77-48)36(65)29(20-74-49)79-50-42(38(67)35(64)28(18-58)78-50)81-47-39(68)33(62)26(61)19-73-47/h10,25-50,57-58,61-72H,11-21H2,1-9H3/t25-,26+,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@@H](O)[C@@H](O)[C@]3(COC(C)=O)[C@@]2([H])CC(C)(C)[C@@H](OC(=O)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