LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3-O-(Glcb1-3Glcb1-4(Rhaa1-2)Glcb)-(25R)-spirost-5-en-3β-ol

Synonyms

3-O-(beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-4)-[alpha-L-rhamnopyranosyl-(1-2)]-beta-D-glucopyranosyl)-26-O-(beta-D-glucopyranosyl)-(25R)-spirost-5-ene-3beta,22,26-triol
Zingiberen newsaponin

LM ID

LMST01080056

Formula

C₅₁H₈₂O₂₂

Exact Mass

Calculate m/z

1046.52978

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea zingiberensis (#325984)

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)

XJOTXMLDNWCDRH-HAUZKCKMSA-N

InChi (Click to copy)

InChI=1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(72-45-38(60)36(58)33(55)22(3)65-45)40(62)42(31(18-54)69-48)70-47-41(63)43(35(57)30(17-53)68-47)71-46-39(61)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3/t20-,21+,22+,24+,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]5[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](CO)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@@H]([C@]4(OC[C@H](C)CC4)O[C@H]3C[C@@]21[H])C)[H]