Structure Database (LMSD)

Common Name
Rhodopin beta-D-glucoside
Systematic Name
Synonyms
  • Rhodopin glucoside
LM ID
LMPR01070130
Formula
C46H68O6
Exact Mass
Calculate m/z
716.50159
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
WEELHWARVOLEJX-WPNRICMMSA-N
InChi (Click to copy)
InChI=1S/C46H68O6/c1-34(2)19-13-22-37(5)25-16-28-38(6)26-14-23-35(3)20-11-12-21-36(4)24-15-27-39(7)29-17-30-40(8)31-18-32-46(9,10)52-45-44(50)43(49)42(48)41(33-47)51-45/h11-12,14-17,19-21,23-30,41-45,47-50H,13,18,22,31-33H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,35-20+,36-21+,37-25+,38-26+,39-27+,40-30+/t41-,42-,43+,44-,45+/m1/s1
SMILES (Click to copy)
C(CC(C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C=C/C=C(/CC/C=C(\C)/C)\C)\C)/C)/C)/C

Other Databases

LIPIDBANK ID
VCA1048
PubChem CID
16061253
Carotenoid ID
CA00102

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 1
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 813.06
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 11.96
Molar Refractivity 223.25

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Created at
-
Updated at
13th Sep 2021