LIPID MAPS

Structure Database (LMSD)

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Common Name

Spongioside A

Systematic Name

3-O-(Rhaa1-4(Rhaa1-2)Glcb)-16-O-(Glcb)-cholest-5-en-3β,16β,22S-triol

Synonyms

(22S)-16beta-[(beta-D-glucopyranosyl)oxy]-22-hydroxycholest-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-O-[alpha-L-rhamnopyranosyl-(1-4)]-beta-D-glucopyranoside

LM ID

LMST01010343

Formula

C₅₁H₈₆O₂₁

Exact Mass

Calculate m/z

1034.566165

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea spongiosa (#394307)

Magnoliopsida (#3398)

The Dioscorea genus: a review of bioactive steroid saponins,
J Nat Med, 2007

DOI: 10.1007/s11418-006-0126-3

String Representations

InChiKey (Click to copy)

SEOVWFFXKIRYDI-OULDIBQHSA-N

InChi (Click to copy)

InChI=1S/C51H86O21/c1-20(2)8-11-29(53)21(3)33-30(69-48-44(64)40(60)36(56)31(18-52)70-48)17-28-26-10-9-24-16-25(12-14-50(24,6)27(26)13-15-51(28,33)7)68-49-45(72-47-43(63)39(59)35(55)23(5)67-47)41(61)37(57)32(71-49)19-65-46-42(62)38(58)34(54)22(4)66-46/h9,20-23,25-49,52-64H,8,10-19H2,1-7H3/t21-,22+,23+,25+,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+,51+/m1/s1

SMILES (Click to copy)

[C@]12(CC=C3C[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H]([C@@H]([C@@H](O)CCC(C)C)C)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@@]21[H])[H]