LIPID MAPS

Structure Database (LMSD)

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Common Name

Aethioside A

Systematic Name

3β-O-α-L-rhamnopyranosyl-(1-3)-[α-L-rhamnopyranosyl-(1-2)]-β-D-glucopyranosyl-homo-aro-cholest-5-ene-26-O-β-D-glucopyranoside

Synonyms

LM ID

LMST01170002

Formula

C₅₃H₈₂O₂₀

Exact Mass

Calculate m/z

1038.53995

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)

GYFDCRHJEBAQRZ-IWWSLYPNSA-N

InChi (Click to copy)

InChI=1S/C53H82O20/c1-22(21-66-48-43(63)42(62)38(58)33(19-54)70-48)7-8-26-9-10-27-17-32-30-12-11-28-18-29(13-15-52(28,5)31(30)14-16-53(32,6)35(27)23(26)2)69-51-47(73-50-45(65)41(61)37(57)25(4)68-50)46(39(59)34(20-55)71-51)72-49-44(64)40(60)36(56)24(3)67-49/h9-11,22,24-25,29-34,36-51,54-65H,7-8,12-21H2,1-6H3/t22?,24-,25-,29-,30+,31-,32-,33+,34+,36-,37-,38+,39+,40+,41+,42-,43+,44+,45+,46-,47+,48+,49-,50-,51+,52-,53-/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)[C@H](C)O3)[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