Structure Database (LMSD)
Common Name
Platycarpanetin 7-O-laminaribioside
Systematic Name
Synonyms
3D model of Platycarpanetin 7-O-laminaribioside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
UZMUXJILTAIJOS-PGNIFTOHSA-N
InChi (Click to copy)
InChI=1S/C30H34O17/c1-39-15-6-16(26(40-2)27-19(15)20(33)12(9-41-27)11-3-4-13-14(5-11)43-10-42-13)44-30-25(38)28(22(35)18(8-32)46-30)47-29-24(37)23(36)21(34)17(7-31)45-29/h3-6,9,17-18,21-25,28-32,34-38H,7-8,10H2,1-2H3/t17-,18-,21-,22-,23+,24-,25-,28+,29+,30-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O)[C@@H](CO)O1)C1C=C(OC)C2C(=O)C(C3C=C4OCOC4=CC=3)=COC=2C=1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
6
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
549.01
Topological Polar Surface Area
253.94
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
17
logP
2.54
Molar Refractivity
160.38
Admin
Created at
-
Updated at
19th Oct 2021