Structure Database (LMSD)

Common Name
rhodexin A
Systematic Name
Synonyms
  • Rhodexin A
  • Sarmentogenin 3-O-alpha-L-rhamnoside
  • Sarmentogenin, 3-(6-deoxy-alpha-L-mannopyranoside)
LM ID
LMST01120010
Status
Active
Exact Mass
Calculate m/z
536.298535
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HFMLTKBZNAPPNY-CEKKCSHUSA-N
InChi (Click to copy)
InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16+,17-,18+,19+,20+,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@]([H])([C@H](O)C[C@@]3(C)[C@]2(O)CC[C@]3([H])C2=CC(=O)OC2)[C@@]2(C)CC[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@@]12[H]

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 6
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 509.93
Topological Polar Surface Area 150.05
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 4.00
Molar Refractivity 138.92

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Created at
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Updated at
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