Structure Database (LMSD)

Common Name
Astaxanthin diglucoside
Systematic Name
(3S,3'S)-3,3'-Di(β-D-glucopyranosyloxy)-β,β-carotene-4,4'-dione
Synonyms
  • Astaxanthin beta-D-diglucoside
LM ID
LMPR01070100
Formula
Exact Mass
Calculate m/z
920.49221
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Agrobacterium aurantiacum (#44155)
Alphaproteobacteria (#28211)
Metabolic engineering for the production of carotenoids in non-carotenogenic bacteria and yeasts.,
J Biotechnol, 1997
Pubmed ID: 9519479

String Representations

InChiKey (Click to copy)
OGSBMKNVQQESGO-NYBDDSGTSA-N
InChi (Click to copy)
InChI=1S/C52H72O14/c1-29(17-13-19-31(3)21-23-35-33(5)41(55)37(25-51(35,7)8)63-49-47(61)45(59)43(57)39(27-53)65-49)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)42(56)38(26-52(36,9)10)64-50-48(62)46(60)44(58)40(28-54)66-50/h11-24,37-40,43-50,53-54,57-62H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-,39+,40+,43+,44+,45-,46-,47+,48+,49+,50+/m0/s1
SMILES (Click to copy)
[C@@H]1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C(=C(/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=C/C2=C(C(=O)[C@@H](O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)CC2(C)C)C)\C)/C)C(C)(C1)C)C

Other Databases

LIPIDBANK ID
VCA1018
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 66
Rings 4
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 947.46
Topological Polar Surface Area 237.04
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 14
logP 8.56
Molar Refractivity 257.34

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Created at
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Updated at
5th Oct 2022