LIPID MAPS

Structure Database (LMSD)

Common Name

Gypenoside S4

Systematic Name

19-oxo-3β,20S,21,25-tetrahydroxy-23-ene-3-O-{[α-l-rhamnopyranosyl(1-2)]-[β-d-xylopyranosyl(1-3)]-α-l-arabinopyranosyl}-21-O-β-d-glucopyranoside

Synonyms

LM ID

LMPR0106080009

Formula

C₅₂H₈₆O₂₂

Exact Mass

Calculate m/z

1062.56108

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Gynostemma pentaphyllum (#182084)

Magnoliopsida (#3398)

Protective effects of four new saponins from Gynostemma pentaphyllum against hydrogen peroxide-induced neurotoxicity in SH-SY5Y cells.,
Bioorg Chem, 2020

Pubmed ID: 33213892

String Representations

InChiKey (Click to copy)

LLSSHCNHLOBXSV-SGYFHSMVSA-N

InChi (Click to copy)

InChI=1S/C52H86O22/c1-24-33(57)36(60)40(64)45(70-24)74-42-41(73-43-38(62)34(58)27(55)20-67-43)28(56)21-68-46(42)72-32-13-18-51(22-54)30(48(32,4)5)12-17-50(7)31(51)10-9-25-26(11-16-49(25,50)6)52(66,15-8-14-47(2,3)65)23-69-44-39(63)37(61)35(59)29(19-53)71-44/h8,14,22,24-46,53,55-66H,9-13,15-21,23H2,1-7H3/b14-8+/t24-,25+,26-,27+,28-,29+,30-,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41-,42+,43-,44+,45-,46-,49+,50+,51+,52+/m0/s1

SMILES (Click to copy)

C1C[C@]2(C=O)[C@@]3([H])CC[C@]4([H])[C@@]([H])([C@@](CO[C@H]5[C@H](O)[C@@H](O)[C@@H]([C@@H](CO)O5)O)(O)C/C=C/C(O)(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1