LIPID MAPS

Structure Database (LMSD)

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Systematic Name

26-O-β-d-glucopyranosyl-(22S,25S)-furostan-22,25-epoxy-3β,5β,26,27-tetrol-5-O-β-d-glucopyranoside

Synonyms

LM ID

LMST01090015

Formula

C₃₉H₆₄O₁₆

Exact Mass

Calculate m/z

788.41944

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rohdea chinensis (#927809)

Magnoliopsida (#3398)

Furospirostanol and spirostanol saponins from the rhizome of Tupistra chinensis and their cytotoxic and anti-inflammatory activities,
Tetrahedron, 2016

DOI: 10.1016/j.tet.2015.11.012

String Representations

InChiKey (Click to copy)

OSFVDGAHRYADSK-KFUBBPSZSA-N

InChi (Click to copy)

InChI=1S/C39H64O16/c1-18-26-23(53-39(18)11-10-37(16-42,55-39)17-50-33-31(48)29(46)27(44)24(14-40)51-33)12-22-20-5-9-38(54-34-32(49)30(47)28(45)25(15-41)52-34)13-19(43)4-8-36(38,3)21(20)6-7-35(22,26)2/h18-34,40-49H,4-17H2,1-3H3/t18-,19-,20+,21-,22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-/m0/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@@](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)(CO)CC6)O[C@H]5C[C@@]4([H])[C@]3([H])CC[C@]2(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@H](O)C1)C