Structure Database (LMSD)
Common Name
Parispolyside H
Systematic Name
3β-O-β-D-glucopyranosyl-(1-3)-[α-L-rhamnopyranosyl-(1-2)]-β-D-glucopyranosyl-(25R)-homo-aro-cholest-5-ene-26-O-β-D-glucopyranoside
Synonyms
3D model of Parispolyside H
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)
GLQFCYNOYUKAPU-SWZHKOPDSA-N
InChi (Click to copy)
InChI=1S/C53H82O21/c1-22(21-67-48-43(64)41(62)37(58)32(18-54)70-48)6-7-25-8-9-26-16-31-29-11-10-27-17-28(12-14-52(27,4)30(29)13-15-53(31,5)35(26)23(25)2)69-51-47(74-49-44(65)40(61)36(57)24(3)68-49)46(39(60)34(20-56)72-51)73-50-45(66)42(63)38(59)33(19-55)71-50/h8-10,22,24,28-34,36-51,54-66H,6-7,11-21H2,1-5H3/t22-,24+,28+,29-,30+,31+,32-,33-,34-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,50+,51-,52+,53+/m1/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]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@@H](CO)O2)CC2=CC[C@@]3([H])[C@]4([H])CC5C=CC(CC[C@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C)=C(C)C=5[C@@]4(C)CC[C@]3([H])[C@@]12C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
74
Rings
9
Aromatic Rings
1
Rotatable Bonds
15
Van der Waals Molecular Volume
977.35
Topological Polar Surface Area
345.11
Hydrogen Bond Donors
13
Hydrogen Bond Acceptors
21
logP
5.37
Molar Refractivity
269.01
Admin
Created at
30th Nov 2020
Updated at
30th Nov 2020