LIPID MAPS

Structure Database (LMSD)

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Common Name

Dioscoreside C

Systematic Name

3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-23S-methoxy-(25R)-furosta-5,20(22)-dien-3β,26-diol

Synonyms

26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-23S-methoxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-[alpha-L-rhamnopyranosyl(1-4)]-beta-D-glucopyranoside

LM ID

LMST01070010

Formula

C₅₂H₈₄O₂₂

Exact Mass

Calculate m/z

1060.54543

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea futschauensis (#374971)

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)

GOKDEZKNKCIMJT-PCWGPMBDSA-N

InChi (Click to copy)

InChI=1S/C52H84O22/c1-20(19-66-47-40(61)39(60)36(57)31(17-53)71-47)14-30(65-7)44-21(2)33-29(70-44)16-28-26-9-8-24-15-25(10-12-51(24,5)27(26)11-13-52(28,33)6)69-50-46(74-49-42(63)38(59)35(56)23(4)68-49)43(64)45(32(18-54)72-50)73-48-41(62)37(58)34(55)22(3)67-48/h8,20,22-23,25-43,45-50,53-64H,9-19H2,1-7H3/t20-,22+,23+,25+,26-,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,45-,46-,47-,48+,49+,50-,51+,52+/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](O)[C@H](C)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3C(=C([C@@H](OC)C[C@@H](C)CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O[C@H]3C[C@@]21[H])C)[H]