LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Shatavarin IV

Systematic Name

3-O-{[β-d-glucopyranosyl(1-2)][α-l-rhamnopyranosyl(1-4)]-β-d-glucopyranosyl}-(25S)-5β-spirostan-3β-ol

Synonyms

Asparanin B
Curillin H
Sarsasapogenin 3-O-4G-rhamnosylsophoroside

LM ID

LMST01070030

Formula

C₄₅H₇₄O₁₇

Exact Mass

Calculate m/z

886.492605

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BCUDKRWNGQAFLF-PJFZGHSASA-N

InChi (Click to copy)

InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1

SMILES (Click to copy)

O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1CC[C@@]2([C@@]3([C@@]([C@]4([C@](CC3)([C@@H]3[C@H](C4)O[C@@]4(OC[C@@H](C)CC4)[C@H]3C)C)[H])([H])CC[C@@]2(C1)[H])[H])C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O