Structure Database (LMSD)
Common Name
Osladin
Systematic Name
26-O-α-L-rhamnopyranosyl-(22R,25S,26R)-22,26-expoxy-6-oxo-5α-cholestan-3β,26-diol-3-O-α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranoside
Synonyms
3D model of Osladin
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)
QZOALWMSYRBZSA-QZLZDTQYSA-N
InChi (Click to copy)
InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+/m0/s1
SMILES (Click to copy)
C1C[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@]2([H])C(=O)C[C@@]3([H])[C@@]4(CC[C@]([H])([C@H](C)[C@@H]5O[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](C)CC5)[C@@]4(C)CC[C@]3([H])[C@@]12C)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
62
Rings
8
Aromatic Rings
Rotatable Bonds
9
Van der Waals Molecular Volume
834.97
Topological Polar Surface Area
272.03
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
17
logP
5.92
Molar Refractivity
224.84
Admin
Created at
10th Jan 2024
Updated at
10th Jan 2024