LIPID MAPS

Structure Database (LMSD)

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Common Name

Aethioside B

Systematic Name

3β-O-β-D-xylpyranosyl-(1-3)-[α-L-rhamnopyranosyl-(1-2)]-β-D-glucopyranosyl-homo-aro-cholest-5-en-16'-carboxy-26-O-β-D-glucopyranoside

Synonyms

LM ID

LMST01170004

Formula

C₅₂H₈₀O₂₀

Exact Mass

Calculate m/z

1024.5243

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Solanum aethiopicum (#205524)

Magnoliopsida (#3398)

A new homo-aro-cholestane glycoside from the rhizome of Paris polyphylla var. chinensis.,
J Asian Nat Prod Res, 2020

Pubmed ID: 33225748

String Representations

InChiKey (Click to copy)

JYOHIBZEEAHBAU-MIBYPNLYSA-N

InChi (Click to copy)

InChI=1S/C52H80O20/c1-22(20-65-47-43(63)41(61)38(58)33(18-53)69-47)6-7-25-8-9-26-16-31-29-11-10-27-17-28(12-14-51(27,4)30(29)13-15-52(31,5)35(26)23(25)2)68-50-46(72-49-44(64)40(60)36(56)24(3)67-49)45(39(59)34(19-54)70-50)71-48-42(62)37(57)32(55)21-66-48/h8-10,22,24,28-34,36-50,53-64H,6-7,11-21H2,1-5H3/t22?,24-,28-,29+,30-,31-,32+,33+,34+,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46+,47+,48-,49-,50+,51-,52-/m0/s1

SMILES (Click to copy)

C1C[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](O)[C@@H](CO)O2)CC2=CC[C@@]3([H])[C@]4([H])CC5C=CC(CCC(CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C)=C(C)C=5[C@@]4(C)CC[C@]3([H])[C@@]12C