LIPID MAPS

Structure Database (LMSD)

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Common Name

Aethioside C

Systematic Name

3β-O-α-L-rhamnopyranosyl-(1-3)-[α-L-rhamnopyranosyl-(1-2)]-β-D-glucopyranosyl-homo-aro-cholest-5-en-16'-carboxy-26-O-β-D-glucopyranoside

Synonyms

LM ID

LMST01170003

Formula

C₅₄H₈₂O₂₂

Exact Mass

Calculate m/z

1082.52978

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Solanum aethiopicum (#205524)

Magnoliopsida (#3398)

A new homo-aro-cholestane glycoside from the rhizome of Paris polyphylla var. chinensis.,
J Asian Nat Prod Res, 2020

Pubmed ID: 33225748

String Representations

InChiKey (Click to copy)

KLFDSPQZPDTWHH-VFNJSLKDSA-N

InChi (Click to copy)

InChI=1S/C54H82O22/c1-21(20-69-49-43(64)42(63)38(59)33(18-55)73-49)7-8-25-15-30(48(67)68)29-17-32-28-10-9-26-16-27(11-13-53(26,5)31(28)12-14-54(32,6)35(29)22(25)2)72-52-47(76-51-45(66)41(62)37(58)24(4)71-51)46(39(60)34(19-56)74-52)75-50-44(65)40(61)36(57)23(3)70-50/h9,15,21,23-24,27-28,31-34,36-47,49-52,55-66H,7-8,10-14,16-20H2,1-6H3,(H,67,68)/t21?,23-,24-,27-,28+,31-,32-,33+,34+,36-,37-,38+,39+,40+,41+,42-,43+,44+,45+,46-,47+,49+,50-,51-,52+,53-,54-/m0/s1

SMILES (Click to copy)

C1C[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@@H](CO)O2)CC2=CC[C@@]3([H])[C@]4([H])CC5C(C(=O)O)=CC(CCC(CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C)=C(C)C=5[C@@]4(C)CC[C@]3([H])[C@@]12C