Structure Database (LMSD)
Common Name
Kurilensoside I
Systematic Name
3β-(2-O-methyl-β-D-xylopyranosyloxy)-24R-[2-O-methyl-β-D-xylopyranosyl-(1-5)-α-L-arabinofuranosyloxy]-5α-cholest-22E-en-4β,6α,7α,8,15β-pentol
Synonyms
- (22E,24R)-3-O-(2-O-methyl-beta-D-xylopyranosyl)-24-O-[2-O-methyl-beta-D-xylopyranosyl-(1-5)-alpha-L-arabinofuranosyl]-5alpha-cholest-22-ene-3beta,4beta,6alpha,7alpha,8,15beta,24-heptaol
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JLSBRWJFUJFKOK-ULDPRFGRSA-N
InChi (Click to copy)
InChI=1S/C44H74O19/c1-18(2)24(61-39-34(53)32(51)26(63-39)17-60-40-35(56-6)29(48)22(46)15-58-40)9-8-19(3)20-14-21(45)37-42(20,4)13-11-27-43(5)12-10-25(31(50)28(43)33(52)38(54)44(27,37)55)62-41-36(57-7)30(49)23(47)16-59-41/h8-9,18-41,45-55H,10-17H2,1-7H3/b9-8+/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+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](CO[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6OC)O5)C(C)C)C[C@@H](O)[C@@]4([H])[C@]3(O)[C@H](O)[C@H](O)[C@@]2([H])[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1
References
Reference
[Two new steroid glycosides from the Far East starfish Hippasteria kurilensis].
Bioorg Khim, 2009
DOI: 10.1134/s106816200904013x
PMID: 19928059
Bioorg Khim, 2009
DOI: 10.1134/s106816200904013x
PMID: 19928059
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Hippasteria
(#136939)
Asteroidea
(#7588)
[Two new steroid glycosides from the Far East starfish Hippasteria kurilensis].,
Bioorg Khim, 2009
Bioorg Khim, 2009
Pubmed ID:
19928059
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
63
Rings
7
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
847.61
Topological Polar Surface Area
302.58
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
19
logP
4.21
Molar Refractivity
228.05
Admin
Created at
-
Updated at
8th Mar 2021