Structure Database (LMSD)
Common Name
Kurilensoside F
Systematic Name
(25S)-3β-(2-O-methyl-β-D-xylopyranosyloxy)-cholestan-4β,5α,,8,15α,16β,26-hexol
Synonyms
- (25S)-3-O-(2-O-methyl-beta-D-xylopyranosyl)-cholestane-3beta,4beta,5alpha,8,15alpha,16beta,26-heptol
3D model of Kurilensoside F
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
SFKLBZDYZMNXCK-FVIGSPGCSA-N
InChi (Click to copy)
InChI=1S/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33+/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](CO)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3(O)CC[C@@]2(O)[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
614.35
Topological Polar Surface Area
191.60
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
11
logP
4.13
Molar Refractivity
165.09
Admin
Created at
-
Updated at
8th Mar 2021