LIPID MAPS

Structure Database (LMSD)

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Common Name

Arenaroside E

Systematic Name

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

Synonyms

LM ID

LMPR0106150054

Formula

C₅₄H₈₈O₂₄

Exact Mass

Calculate m/z

1120.56656

Status

Active

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)

XUZAKBQMTOGXDQ-WEIOMZFESA-N

InChi (Click to copy)

InChI=1S/C54H88O24/c1-22(58)72-44-43(69)53(8)23(24-15-49(2,3)16-31(60)54(24,44)21-57)9-10-30-51(6)13-12-32(50(4,5)29(51)11-14-52(30,53)7)76-47-41(78-46-40(68)37(65)34(62)26(17-55)73-46)36(64)28(20-71-47)75-48-42(38(66)35(63)27(18-56)74-48)77-45-39(67)33(61)25(59)19-70-45/h9,24-48,55-57,59-69H,10-21H2,1-8H3/t24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,48-,51-,52+,53-,54+/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](OC(C)=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