LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3-O-(Xylb1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5α-spirostan-3β,6α-diol

Synonyms

(25R)-5alpha-spirostan-3beta,6alpha-diol 3-O-beta-D-xylopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside

LM ID

LMST01080088

Formula

C₅₅H₈₈O₂₈

Exact Mass

Calculate m/z

1196.54622

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

UBUNKEYLKDSVAX-QLNDWOHJSA-N

InChi (Click to copy)

InChI=1S/C55H88O28/c1-19-5-8-55(74-16-19)20(2)34-29(83-55)11-24-22-10-26(59)25-9-21(6-7-53(25,3)23(22)12-33(62)54(24,34)4)75-50-42(70)39(67)44(32(15-58)78-50)79-52-47(46(38(66)31(14-57)77-52)81-49-41(69)36(64)28(61)18-73-49)82-51-43(71)45(37(65)30(13-56)76-51)80-48-40(68)35(63)27(60)17-72-48/h19-32,34-52,56-61,63-71H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32-,34+,35+,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48+,49+,50-,51+,52+,53-,54-,55-/m1/s1

SMILES (Click to copy)

O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)[C@@H](CO)O3)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](O)[C@@H](CO)O2)[C@@H](CO)O1)[C@@H]1C[C@]2([H])[C@@H](O)C[C@@]3([H])[C@]4([H])C[C@@H]5O[C@]6([C@@H](C)[C@@H]5[C@@]4(C)C(=O)C[C@]3([H])[C@@]2(C)CC1)OC[C@H](C)CC6