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Structure Database (LMSD)

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Common Name

Blechnoside A

Systematic Name

3-O-(β-D-glucopyranosyl)-3β,14α,22R,25-tetrahydroxy-2-5β-cholest-7-en-6-one

Synonyms

2-deoxyecdysone 3-beta-d-glycopyranoside
silenoside E

LM ID

LMST01010535

Formula

C₃₃H₅₄O₁₀

Exact Mass

Calculate m/z

610.3717

Sum Composition

ST 27:2;O5;Hex

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

KIYBOATYEXVQQC-LJFUCLFESA-N

InChi (Click to copy)

InChI=1S/C33H54O10/c1-17(23(35)9-10-30(2,3)40)19-8-13-33(41)21-15-24(36)22-14-18(6-11-31(22,4)20(21)7-12-32(19,33)5)42-29-28(39)27(38)26(37)25(16-34)43-29/h15,17-20,22-23,25-29,34-35,37-41H,6-14,16H2,1-5H3/t17-,18-,19+,20-,22-,23+,25+,26+,27-,28+,29+,31+,32+,33+/m0/s1

SMILES (Click to copy)

C12=CC([C@]3([H])C[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@H](C)[C@H](O)CCC(O)(C)C)[H])=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Parablechnum minus (#393576)

Polypodiopsida (#241806)

Blechnosides A and B: Ecdysteroid glycosides from Blechnum minus,
Phytochemistry, 1986

DOI: 10.1016/S0031-9422(00)81277-7

Other Databases

PubChem CID

21626688

Calculated Physicochemical Properties

Heavy Atoms 43

Rings 5

Aromatic Rings

Rotatable Bonds 8

Van der Waals Molecular Volume 600.28

Topological Polar Surface Area 179.21

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 10

logP 4.45

Molar Refractivity 161.48

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Created at

5th May 2023

Updated at