Structure Database (LMSD)
Common Name
Linckoside H
Systematic Name
(25S)-3-O-(β-D-xylopyranosyl)-cholest-4,24(28)-diene-3β,6β,8,15α,16β,26-hexaol
Synonyms
3D model of Linckoside H
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
LZVGJJXRXSGPRB-XHVWNEPDSA-N
InChi (Click to copy)
InChI=1S/C33H54O10/c1-16(18(3)14-34)6-7-17(2)24-26(38)27(39)29-32(24,5)11-9-23-31(4)10-8-19(12-20(31)21(35)13-33(23,29)41)43-30-28(40)25(37)22(36)15-42-30/h12,17-19,21-30,34-41H,1,6-11,13-15H2,2-5H3/t17-,18-,19+,21-,22-,23-,24+,25+,26-,27+,28-,29-,30+,31+,32-,33+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)[C@@H](CO)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3(O)C[C@@H](O)C2=C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
600.28
Topological Polar Surface Area
182.37
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
10
logP
4.16
Molar Refractivity
162.83
Admin
Created at
21st Dec 2020
Updated at
19th Feb 2024