Structure Database (LMSD)
Common Name
Pariposide F
Systematic Name
Stigmasta-5-en-3β-ol 3-O-β-D-glucopyranosyl-(1-6)-[β-D-glucopyranosyl-(112)]-β-D-glucopyranoside
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Pariposide 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)
LEKPHGUTSQVWOB-CLVFTDLISA-N
InChi (Click to copy)
InChI=1S/C47H80O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)59-45-42(63-44-41(57)38(54)35(51)32(20-49)61-44)39(55)36(52)33(62-45)21-58-43-40(56)37(53)34(50)31(19-48)60-43/h10-11,22-45,48-57H,7-9,12-21H2,1-6H3/t23-,24-,25?,26+,27?,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45-,46+,47-/m1/s1
SMILES (Click to copy)
C1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)CC2[C@@](C)([C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])C3C=C2)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
63
Rings
7
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
873.14
Topological Polar Surface Area
263.89
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
16
logP
6.79
Molar Refractivity
235.71
Admin
Created at
15th Dec 2021
Updated at
15th Dec 2021