LIPID MAPS

Structure Database (LMSD)

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Common Name

Hypoglaucin G

Systematic Name

3-O-(Rhaa1-4(Rhaa1-2)Glcb)-16-(4'-methyl-5'-O-β-D-glucopyranosyloxy-pentanoyl)-pregn-5-en-3β,16β-diol-20-one

Synonyms

16beta-(4'-methyl-5'-O-beta-D-glucopyranosyl-pentanoxy)-pregn-5-en-3beta-ol-20-one 3-O-alpha-L-rhamnopyranosyl-(1-2)-[alpha-L-rhamnopyranosyl-(1-4)]-beta-D-glucopyranoside

LM ID

LMST02030221

Formula

C₅₁H₈₂O₂₃

Exact Mass

Calculate m/z

1062.524695

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

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)

OJBSJPFDQZUALV-RNBBQDQJSA-N

InChi (Click to copy)

InChI=1S/C51H82O23/c1-20(19-66-46-40(62)39(61)36(58)30(17-52)71-46)7-10-32(55)70-29-16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,6)33(29)21(2)54)69-49-45(74-48-42(64)38(60)35(57)23(4)68-48)43(65)44(31(18-53)72-49)73-47-41(63)37(59)34(56)22(3)67-47/h8,20,22-23,25-31,33-49,52-53,56-65H,7,9-19H2,1-6H3/t20?,22-,23-,25-,26+,27-,28-,29-,30+,31+,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-/m0/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](O)[C@H](C)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)C)[C@@H](OC(CCC(CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C)=O)C[C@@]21[H])[H]