Structure Database (LMSD)
Common Name
Fuscaside B
Systematic Name
(24S)-3,24-di-O-(β-D-xylopyranosyl)-5α-cholestane-3β,6β,8,15α,24-pentol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Fuscaside B
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)
YXEPNYVZWCVYPE-SSDFDMOKSA-N
InChi (Click to copy)
InChI=1S/C37H64O12/c1-17(2)28(49-35-33(45)31(43)27(41)16-47-35)7-6-18(3)22-14-25(39)29-20-13-24(38)23-12-19(48-34-32(44)30(42)26(40)15-46-34)8-10-36(23,4)21(20)9-11-37(22,29)5/h17-35,38-45H,6-16H2,1-5H3/t18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37-/m1/s1
SMILES (Click to copy)
C1C[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C[C@]2([H])[C@H](O)C[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@@H](CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)C)C)C[C@H](O)[C@]13[H]
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
6
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
679.98
Topological Polar Surface Area
202.90
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
12
logP
5.31
Molar Refractivity
183.62
Admin
Created at
22nd Oct 2020
Updated at
1st Feb 2021