Structure Database (LMSD)

Common Name
Anthenoside A
Systematic Name
16α-(4-O-methyl-2-acetamido-2-deoxy-β-D-glucopyranosyloxy)-5α-stigmast-8(14)-en-3α,6β,7β-triol
Synonyms
  • (20R,24R)-16-O-(4-O-methyl-2-acetamido-2-deoxy-beta-D-glucopyranosyl)-24-ethyl-5alpha-cholest-8(14)-en-3alpha,6beta,7beta,16alpha-tetrol
LM ID
LMST05050021
Status
Active
Exact Mass
Calculate m/z
679.465934
Formula


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
RNKLRQYEPYNQHD-BXUSDLLZSA-N
InChi (Click to copy)
InChI=1S/C38H65NO9/c1-9-22(19(2)3)11-10-20(4)30-27(47-36-31(39-21(5)41)34(45)35(46-8)28(18-40)48-36)17-25-29-24(13-15-38(25,30)7)37(6)14-12-23(42)16-26(37)32(43)33(29)44/h19-20,22-24,26-28,30-36,40,42-45H,9-18H2,1-8H3,(H,39,41)/t20-,22-,23-,24+,26-,27-,28-,30+,31-,32+,33-,34-,35-,36-,37-,38+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](CC)C(C)C)[C@H](O[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](OC)[C@@H](CO)O5)CC4=C3[C@@H](O)[C@@H](O)[C@@]2([H])C[C@H](O)C1

References

Reference
Two New Steroidal Monoglycosides, Anthenosides A₁ and A₂, and Revision of the Structure of Known Anthenoside A with Unusual Monosaccharide Residue from the Starfish Anthenea aspera.
Molecules, 2018
DOI: 10.3390/molecules23051077
PMID: 29751557

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anthenea aspera (#2769427)
Asteroidea (#7588)
Two New Steroidal Monoglycosides, Anthenosides A₁ and A₂, and Revision of the Structure of Known Anthenoside A with Unusual Monosaccharide Residue from the Starfish Anthenea aspera.,
Molecules, 2018
Pubmed ID: 29751557

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 5
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 688.99
Topological Polar Surface Area 160.01
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 6.57
Molar Refractivity 186.58

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Created at
-
Updated at
22nd Feb 2021